bluuebunny/crossref_metadata_2025 huggingface dataset:
Activated microglia promote invasion and barrier dysfunction of brain endothelial cells via regulating the CXCL13/CXCR5 axis
Authors: Zhang Qiaolei , Jiang Jinhong , Liu Yonghua , Ma Guangli , Wang Xiaoqiu , Fang Bingmu
Published: June 2022

The blood brain barrier (BBB) is a protective border that prevents noxious substances from gaining access to the central nervous system (CNS). CXCL13 is a chemokine from the CXC chemokine family, which has been shown to destroy the barrier function of umbilical vein endothelial cells with its receptor CXCR5. Here, we aimed to investigate the role of CXCL13/CXCR5 signaling axis in BBB. The invasive ability of bEnd.3 cells was determined by the Transwell invasion assay. The barrier integrity of bEnd.3 cells was assessed by detecting trans‐endothelial electrical resistance, the permeability to fluorescein isothiocyanate−dextran, and the expression levels of the tight junction protein E‐cadherin. Lipopolysaccharide (LPS)‐activated microglia promoted invasion and barrier dysfunction, and upregulated CXCR5 and p‐p38 expression levels in cocultured bEnd.3 cells. However, the effects of activated microglia were alleviated by knocking down CXCR5 in cocultured bEnd.3 cells. Furthermore, recombinant CXCL13 promoted invasion and barrier dysfunction, and upregulated the expression levels of p‐p38 in bEnd.3 cells; however, its effects were abolished by treating bEnd.3 cells with the p38 inhibitor SB203580. Our data tentatively demonstrated that LPS‐activated microglial cells may promote invasion and barrier dysfunction in bEnd.3 cells by regulating the CXCL13/CXCR5 axis and p38 signaling.
High Performing and Stable Cu/NiAlOx Catalysts for the Continuous Catalytic Conversion of Ethanol into Butanol
Authors: Li Jie , Lin Lu , Tan Yuan , Wang Shiyi , Yang Wenshao , Chen Xingkun , Luo Wenhao , Ding Yun‐Jie
Published: June 2022

The catalytic conversion of ethanol into butanol is one of crucial reactions in biorefinery for the production of renewable fuels and chemicals. The development of highly durable non‐noble metal‐based catalysts is of great significance but poses big challenges. Herein, we prepared a series of NiAl‐hydrotalcite derived Cu/NiAlOx catalysts via the hydrothermal precipitation method. Cu addition to the system shows an enhanced reactivity in the continuous catalytic conversion of ethanol into butanol. The 0.75 %Cu/NiAlOx catalyst afford a sustained ethanol conversion of ∼35 % and butanol selectivity of ∼45 % within 1000 h at 250 °C, 3 MPa N2. Complementary characterization studies reveal that Cu addition into the catalysts could not only provide redox sites for facilitating the dehydrogenation/hydrogenation processes, but also modulate the base/acid property for suppressing the side reactions. The excellent stability might stem from the enhanced interaction between Cu and Ni species, as evidenced by EDX‐mapping and H2‐TPR. We believe this work will help to rational design and develop of high‐performing and durable non‐noble metal catalysts for ethanol coupling to higher alcohols.
Effects of a Semi‐Mechanical Technique on the Properties of Nanocellulose from Defatted Rice Bran
Authors: Ilias Nurul Najihah , Mohd Rozalli Norazatul Hanim , Mohamad Kassim Mohamad Haafiz
Published: June 2022

Defatted rice bran (DRB), an underutilized agricultural waste, was subjected to sequential pretreatment steps to isolate the cellulose from the lignocellulosic materials. Further extraction by using 55 wt % sulfuric acid combined with ultrasonication was able to produce nanocellulose (NCso). Ultrasonication effectively reduced the particle size and increased the crystallinity of NCso compared to the control (NCcont). Unchanged functional groups and an insignificant decrease of the degradation temperature of NCso demonstrated the negligible impact of ultrasound on the chemical structure and thermal stability of the extracted nanocellulose. Nanocellulose isolated by the described technique has potential applications as biocomposite material and emulsifier in stabilizing emulsions.
Optimization of Sodium Bicarbonate Production from Ammonium Hydroxide Using a Froth Flotation Column
Authors: Sudibyo Sudibyo , Suharto Suharto , Rarasati Syahdilla Anggiva Akhni , Wulandari Yeni Ria , Shintawati Shintawati , Rohman Fakhrony Sholahudin
Published: June 2022

Sodium bicarbonate is produced by the Solvay process from salt (NaCl), ammonia gas (NH3), and CO2. Here, the Solvay process was modified by using ammonium hydroxide (NH4OH) liquid to replace NH3. To increase the yield of sodium bicarbonate, a froth flotation column was used. This column can generate microbubbles of CO2, which increases the CO2 conversion. The parameters were studied using response surface methodology (RSM) with a central composite design of experiments. Based on the RSM analysis, the optimum conditions were identified. Analysis of variance shows that the reaction time is the most significant parameter affecting the production of sodium bicarbonate. Empirical quadratic multivariable equation models were obtained with R2 = 0.94. The heavy metal‐free product can be used as a food additive.
Optimal Feeding Strategy in Fermentation of Docosahexaenoic Acid Production by Schizochytrium sp.
Authors: Rohman Fakhrony Sholahudin , Zahan Khairul Azly , Azmi Ashraf , Roslan Muhammad Faizuddin bin , Abdul Hamid Aidil , Shoparwe Noor Fazliani binti
Published: June 2022

Fed‐batch fermentation has the potential to increase the production of docosahexaenoic acid (DHA) in Schizochytrium sp. which can provide additional nutrients. The feeding strategy in fed‐batch fermentation is one of the important aspects that could help in improving the DHA yield. An enhanced scatter search (eSS) method and the control vector parametrization (CVP) approach were applied to generate the optimal feeding trajectory numerically. Three objective functions were considered, namely, maximizing the DHA concentration, minimizing the final time, and maximizing the economic function. The shortest time and maximum DHA could be determined simultaneously from the optimal feeding trajectory in maximizing the economic function.
The Mechanism of Biochemical NO‐Sensing: Insights from Computational Chemistry
Authors: Rozza Ahmed M. , Papp Marcell , McFarlane Neil R. , Harvey Jeremy N. , Oláh Julianna
Published: June 2022

The binding of small gas molecules such as NO and CO plays a major role in the signaling routes of the human body. The sole NO‐receptor in humans is soluble guanylyl cyclase (sGC) – a histidine‐ligated heme protein, which, upon NO binding, activates a downstream signaling cascade. Impairment of NO‐signaling is linked, among others, to cardiovascular and inflammatory diseases. In the present work, we use a combination of theoretical tools such as MD simulations, high‐level quantum chemical calculations and hybrid QM/MM methods to address various aspects of NO binding and to elucidate the most likely reaction paths and the potential intermediates of the reaction. As a model system, the H‐NOX protein from Shewanella oneidensis (So H‐NOX) homologous to the NO‐binding domain of sGC is used. The signaling route is predicted to involve NO binding to form a six‐coordinate intermediate heme‐NO complex, followed by relatively facile His decoordination yielding a five‐coordinate adduct with NO on the distal side with possible isomerization to the proximal side through binding of a second NO and release of the first one. MD simulations show that the His sidechain can quite easily rotate outward into solvent, with this motion being accompanied in our simulations by shifts in helix positions that are consistent with this decoordination leading to significant conformational change in the protein.
Do Antarafacial Cycloadditions Occur? Cycloaddition of Heptafulvalene with Tetracyanoethylene
Authors: Izzotti Anthony R. , Gleason James L.
Published: June 2022

The cycloaddition of heptafulvalene (1) with tetracyanoethylene (TCNE) was previously described as an example of an antarafacial cycloaddition, a [π14a+π2s] process that afforded only the trans cycloadduct by virtue of the edge‐to‐face approach of TCNE, facilitated by the S shape of 1. The reaction has been investigated in depth and found not to be a concerted antarafacial process. At low temperature, the reaction is observed to give a mixture of cis and trans cycloadducts as well as a [4+2] cycloadduct. The mixture of products is converted to the trans cycloadduct by equilibration upon warming to room temperature. Studies with diethyl 2,3‐dicyanofumarate and ‐maleate confirmed the formation of cis cycloadducts. DFT studies at the M06‐2X/6‐311+G(2d,p) SCRF=acetone level of theory show that the originally proposed edge‐to‐face approach of TCNE to 1 is highly disfavored, whereas a stepwise mechanism involving the addition of TCNE at C2 to form a zwitterion followed by collapse at either C2′ or C7′ is energetically accessible. The Diels‐Alder adduct is also formed in a stepwise reaction by competitive addition of TCNE at C4 of 1. These studies suggest that edge‐to‐face interactions are prohibitive in even the most favorable cases.
Noncovalent Interactions Involving Group 6 in Biological Systems: The Case of Molybdopterin and Tungstopterin Cofactors
Authors: Bauzá Antonio , Frontera Antonio
Published: June 2022

In this study we propose to coin the term Wolfium bond (WfB) to refer to a net attractive force (noncovalent interaction) between any element of group 6 and electron donor atoms (neutral molecules or anions) and to differentiate it from a coordination bond (metal‐ligand interaction). We provide evidence of the existence of this interaction by inspecting the X‐ray crystal structure of proteins containing Molybdopterin and Tungstopterin cofactors from the Protein Data Bank (PDB). The plausible biological role of the interaction as well as its physical nature (antibonding Wf‐Ligand orbital involved) are also analyzed by means of ab initio calculations (RI‐MP2/def2‐TZVP level of theory), Atoms in Molecules (AIM), Natural Bond Orbital (NBO) and Noncovalent Interactions plot (NCIplot) analyses.
Reactions of Diethylazo‐Dicarboxylate with Frustrated Lewis Pairs
Authors: Mandal Dipendu , Chen Ting , Qu Zheng‐Wang , Grimme Stefan , Stephan Douglas W.
Published: June 2022

Reactions of PAr3/B(C6F5)3 (Ar=o‐Tol, Mes, Ph) FLPs with diethyl azodicarboxylate (DEAD) afford the corresponding FLP addition products 1–3 in which P−N and B−O linkages are formed. In contrast, the reaction of BPh3, PPh3 and DEAD gave product 4 where P−N and N−B linkages were confirmed. In all cases, other binding modes were computed to be both higher in energy and readily distinguishable by 31P and 11B NMR parameters. These data illustrate the influence of steric demands and electronic structures on the nature of the products of FLP reactions with DEAD.
Structural Phase Transitions in Anthracene Crystals
Authors: Hino Yuto , Matsuo Takumi , Hayashi Shotaro
Published: June 2022

Anthracene (C14H10) and its derivatives, π‐conjugated molecules in acenes, have been widely researched in terms of their reactions, physical properties, and self‐assembly (or crystal engineering). These molecules can be functionalized to tune reactivities, optoelectronic properties, and self‐assembling abilities. Structural changes in the molecular assemblies, solid states, and crystals have recently been discovered. Therefore, a systematic discussion of anthracene's molecular structure, packing, and optical properties based on its intermolecular structure and phase transitions is important for future chemical and structural design. In the present review, we discuss anthracene's molecular design, dimer packing, and crystal structure, focusing on the structural phase transitions of its crystals. We also provide examples of the phase transitions of anthracene crystals. Changes to edge‐to‐face of CH‐π interaction and face‐to‐face packing of π‐π interaction affect the thermodynamic stabilities of various crystal structures. These structures can inform the prediction of structural and physical properties.
Tuning Solid‐State Emission Behavior of Janus‐Type Anthracenes by Addition of Shielding Bridges
Authors: Tokoro Yuichiro , Nakayama Genta , Yamamoto Shin‐ichi , Koizumi Toshio
Published: June 2022

Traditional π‐face shielding is a useful technique to prepare emissive organic crystals. In this study, clip‐shaped ether bridges with silicon spacers were introduced into Janus‐type anthracenes with one shielded and one free π‐face to tune emission behavior systematically. Single‐crystal X‐ray structure analysis and emission spectra revealed that packing structures, emission color, and responsivity to stimuli depended on the size of the bridges. Anthracene molecules with short bridges resulted in clip‐anthracene and π‐π interactions between anthracene rings, leading to green emission in the solid state. In contrast, anthracenes with long bridges resulted in clip‐clip interactions without π‐π interactions, resulting in blue emission in the solid state. Hirshfeld surface analysis revealed that anthracenes with moderate bridges resulted in weak clip‐clip interactions in the crystal structure, which displayed mechanofluorochromism from blue to green emission.
Spatially Defined Gene Delivery into Native Cells with the Red Light‐Controlled OptoAAV Technology
Authors: Hörner Maximilian , Weber Wilfried
Published: June 2022

The OptoAAV technology allows spatially defined delivery of transgenes into native target cells down to single‐cell resolution by the illumination with cell‐compatible and tissue‐penetrating red light. The system is based on an adeno‐associated viral (AAV) vector of serotype 2 with an engineered capsid (OptoAAV) and a photoreceptor‐containing adapter protein mediating the interaction of the OptoAAV with the surface of the target cell in response to low doses of red and far‐red light. In this article, we first provide detailed protocols for the production, purification, and analysis of the OptoAAV and the adapter protein. Afterward, we describe in detail the application of the OptoAAV system for the light‐controlled transduction of human cells with global and patterned illumination. © 2022 The Authors. Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Production, purification, and analysis of PhyB‐DARPinEGFR adapter protein

Basic Protocol 2: Production, purification, and analysis of OptoAAV

Basic Protocol 3: Red light‐controlled viral transduction with the OptoAAV system

Support Protocol: Spatially resolved transduction of two transgenes with the OptoAAV system
Digital transformation and corporate environmental performance: The moderating role of board characteristics
Authors: Chen Pengyu , Hao Yuanyuan
Published: June 2022

Digital transformation, board characteristics, and environmental performance are increasingly important in the field of corporate sustainability. However, despite the growing literature on digital transformation, there is a paucity of literature that considers board characteristics. This paper aims to fill this gap by exploring the relationship between digital transformation and environmental performance from the perspective of board characteristics. Chinese listed companies from 2010 to 2019 were taken as the original data, the moderating effect of the board characteristics was tested by using the moderating effect model. We find that digital transformation can significantly improve corporate environmental performance. A low willingness to digital transformation was showed in the board of directors with age diversity, nationality diversity, shareholding concentration, and political connections. In contrast, digital transformation strategies were preferred in the boards with more female directors and higher educational backgrounds. Our study is of significant value for companies undergoing digital transformation.
Scale‐Up of Solvent‐Free, Mechanochemical Precursor Synthesis for Nanoporous Carbon Materials via Extrusion
Authors: Rensch Tilo , Chantrain Viviene , Sander Miriam , Grätz Sven , Borchardt Lars
Published: June 2022

The mechanochemical synthesis of nitrogen‐rich nanoporous carbon materials has been scaled up using an extruder. Lignin, urea, and K2CO3 were extruded under heat and pressure to yield nanoporous carbons with up to 3500 m2 g−1 specific surface area after pyrolysis. The route was further broadened by applying different nitrogen sources as well as sawdust as a low‐cost renewable feedstock to receive carbons with a C/N ratio of up to 15 depending on nitrogen source and extrusion parameters. The texture of obtained carbons was investigated by scanning electron microscopy as well as argon and nitrogen physisorption, while the chemical structure was analyzed by X‐ray photoelectron spectroscopy. The received carbon was tested as a supercapacitor electrode, showing comparable performance to similar ball‐mill‐synthesized materials. Lastly, the space‐time yield was applied to justify the use of a continuous reactor versus the ball mill.
Biocatalytic Production of a Nylon 6 Precursor from Caprolactone in Continuous Flow
Authors: Romero‐Fernandez Maria , Heckmann Christian M. , Paradisi Francesca
Published: June 2022

6‐Aminocaproic acid (6ACA) is a key building block and an attractive precursor of caprolactam, which is used to synthesize nylon 6, one of the most common polymers manufactured nowadays. (Bio)‐production of platform chemicals from renewable feedstocks is instrumental to tackle climate change and decrease fossil fuel dependence. Here, the cell‐free biosynthesis of 6ACA from 6‐hydroxycaproic acid was achieved using a co‐immobilized multienzyme system based on horse liver alcohol dehydrogenase, Halomonas elongata transaminase, and Lactobacillus pentosus NADH oxidase for in‐situ cofactor recycling, with >90 % molar conversion (m.c.) The integration of a step to synthesize hydroxy‐acid from lactone by immobilized Candida antarctica lipase B resulted in >80 % m.c. of ϵ‐caprolactone to 6ACA, >20 % of δ‐valerolactone to 5‐aminovaleric acid, and 30 % of γ‐butyrolactone to γ‐aminobutyric acid in one‐pot batch reactions. Two serial packed‐bed reactors were set up using these biocatalysts and applied to the continuous‐flow synthesis of 6ACA from ϵ‐caprolactone, achieving a space‐time yield of up to 3.31 g6ACA h−1 L−1 with a segmented liquid/air flow for constant oxygen supply.
The potential of multispectral imaging flow cytometry for environmental monitoring
Authors: Dunker Susanne , Boyd Matthew , Durka Walter , Erler Silvio , Harpole W. Stanley , Henning Silvia , Herzschuh Ulrike , Hornick Thomas , Knight Tiffany , Lips Stefan , Mäder Patrick , Švara Elena Motivans , Mozarowski Steven , Rakosy Demetra , Römermann Christine , Schmitt‐Jansen Mechthild , Stoof‐Leichsenring Kathleen , Stratmann Frank , Treudler Regina , Virtanen Risto , Wendt‐Potthoff Katrin , Wilhelm Christian
Published: June 2022

Environmental monitoring involves the quantification of microscopic cells and particles such as algae, plant cells, pollen, or fungal spores. Traditional methods using conventional microscopy require expert knowledge, are time‐intensive and not well‐suited for automated high throughput. Multispectral imaging flow cytometry (MIFC) allows measurement of up to 5000 particles per second from a fluid suspension and can simultaneously capture up to 12 images of every single particle for brightfield and different spectral ranges, with up to 60x magnification. The high throughput of MIFC has high potential for increasing the amount and accuracy of environmental monitoring, such as for plant‐pollinator interactions, fossil samples, air, water or food quality that currently rely on manual microscopic methods. Automated recognition of particles and cells is also possible, when MIFC is combined with deep‐learning computational techniques. Furthermore, various fluorescence dyes can be used to stain specific parts of the cell to highlight physiological and chemical features including: vitality of pollen or algae, allergen content of individual pollen, surface chemical composition (carbohydrate coating) of cells, DNA‐ or enzyme‐activity staining. Here, we outline the great potential for MIFC in environmental research for a variety of research fields and focal organisms. In addition, we provide best practice recommendations.
Water use in a young Pinus taeda bioenergy plantation: Effect of intensive management on stand evapotranspiration
Authors: Ruzol Roel , Staudhammer Christina L. , Younger Seth , Aubrey Doug P. , Loescher Henry W. , Jackson C. Rhett , Starr Gregory
Published: June 2022

The increasing demand for plant‐derived bioenergy is projected to expand tree plantations with intensive silviculture and improved tree genetics. These silvicultural practices result in faster stand development and canopy closure, which may also influence the systems' water dynamics. Here, we studied the evapotranspiration (ET) of a young (5 years old) intensively managed loblolly pine (Pinus taeda) stand and investigated the components of ET to determine its contribution to overall water use. We also compared ET with plantations that received less intensive management to determine whether our stand used more water. We used the eddy covariance method to estimate ecosystem‐level total ET (ETEC), while plot‐level estimates of ET (ETP) were obtained via soil lysimeters, sap flow sensors, and throughfall collectors, enabling measurement of the components of ET. Soil evaporation (Es) was the largest component of ETP (36%) over the course of the study, while transpiration and canopy interception accounted for 27% and 22%, respectively. Es decreased with stand development, while transpiration and canopy interception increased. Leaf area index (LAI) and precipitation were the most significant factors controlling ET and its components. Compared to previous studies in different sites that have similar age but lower LAI, our stand had higher water use. This high water use in the early stages of stand development was primarily due to high Es before the canopy was fully developed. While there are potential sources of uncertainty when comparing ETEC and the component fluxes in ETP, results from the two methods were not significantly different. This study had the advantage of using multiple methods to understand and verify the component processes that contribute to ET. Therefore, we recommend that multiple measurement techniques be used in the long‐term observation of ET, and in particular for the evaluation of the impact that intensively managed forests have on water resources in the southeastern United States.
Lived experience of people with adrenocortical carcinoma and associated adrenal insufficiency
Authors: Yeoh Phillip , Czuber‐Dochan Wladyslawa , Aylwin Simon , Sturt Jackie
Published: June 2022

Introduction

Adrenocortical carcinoma (ACC) is a rare cancer with an annual incidence of 0.7–2 cases per million population and 5‐year survival of 31.2%. Adrenal insufficiency (AI) is a common and life shortening complication of ACC, and little is understood about how it impacts on patients' experience.

Objective

To understand patients' lived experience of the condition, its treatment, care process, impact of AI on ACC wellbeing, self‐care needs and support.

Methods

Systematic review of MEDLINE, EMBASES, CINAHL, PsycINFO and Open Grey for studies published until February 2021. All research designs were included. The findings underwent a thematic analysis and narrative synthesis. Studies quality was assessed using mixed method assessment tools.

Results

A total of 2837 citations were identified; 15 titles with cohort, cross‐sectional, case series and case report study designs met the inclusion criteria involving 479 participants with adrenal insufficiency secondary to adrenocortical carcinoma (AI/ACC). Quantitative research identified impacts of disease and treatment on survivorship, the burden of living with AI/ACC, toxicity of therapies, supporting self‐care and AI management. These impact factors included adjuvant therapies involved and their toxicities, caregivers/family supports, healthcare and structure support in place, specialist skill and knowledge provided by healthcare professional on ACC management. No qualitative patient experiences evidence was identified.

Conclusion

ACC appears to have high impact on patients' wellbeing including the challenges with self‐care and managing AI. Evidence is needed to understand patient experience from a qualitative perspective.
cis‐Aziridine Synthon Based Synthetic Investigation for Tamiflu Employing Horner‐Wadsworth‐Emmons Reaction
Authors: Chavan Subhash P. , Kawale Sanket A. , Gonnade Rajesh G.
Published: June 2022

Synthetic investigations to achieve a novel intermediate of Tamiflu by using cis‐aziridine as a chiral building block, which is readily synthesized from D‐mannitol as a renewable starting material, has been presented. The present approach utilizes the intramolecular Horner‐Wadsworth‐Emmons reaction as the key step for the synthesis of Tamiflu. On the other hand, diene containing allylic aziridine framework is found to be inefficient to furnish the six‐membered core skeleton of Tamiflu through ring‐closing metathesis reaction.
Reframe the pain: Divided attention and positive memory reframing to reduce needle pain and distress in children—A feasibility randomized controlled trial
Authors: Braithwaite Felicity A. , Noel Melanie , Jones Hannah G. , Wiese Michael D. , Nania Cara G. , Watson Emily , Stanton Tasha R.
Published: June 2022

Background

Negative experiences of needle procedures in childhood can lead to medical avoidance and vaccine hesitancy into adulthood. We evaluated the feasibility of two new interventions provided by clinical nurses to reduce the negative impact of vaccinations: divided attention (DA) and positive memory reframing (PMR).

Methods

Children (8–12 years) were randomized into four groups: usual care (UC), DA, PMR or combined (DA + PMR). To evaluate feasibility, we undertook in‐depth analysis of video‐recorded interventions, nurse experiences (phone interviews) and child/parent memory recall of interventions (phone interviews at 2 weeks post‐vaccination). Key clinical outcomes included child and parent ratings of needle‐related pain intensity and fear assessed at baseline, immediately post‐vaccination and 2 weeks post‐vaccination (recalled).

Results

A total of 54 child–parent dyads were screened, with 41 included (10/group, except PMR [n = 11]). The interventions were not always completed as intended: 10%–22% of participants received complete interventions and two had adverse events related to protocol breach. Preliminary within‐group analyses showed no effects on child/parent pain ratings. However, children in DA + PMR had reduced recalled fear (p = 0.008), and PMR (p = 0.025) and DA + PMR (p = 0.003) had reduced fear of future needles. Parent ratings of child fear were also reduced immediately post‐vaccination for UC (p = 0.035) and PMR (p = 0.035).

Conclusions

The interventions were feasible, although enhanced nurse training is required to improve fidelity. Preliminary clinical results appear promising, particularly for reducing needle‐related fear. Protocol registration: Protocol number ACTRN12618000687291 at ANZCTR.org.au

Significance

Two new nurse‐led interventions to reduce negative impacts of vaccinations in children, divided attention and positive memory reframing, were feasible and may reduce needle‐related fear. Nurses were able to deliver the interventions in various environments including non‐clinical settings (schools). These interventions have potential to facilitate broader dissemination of vaccinations for children in a manner that minimizes distress.
Multiple responses optimization of antioxidative components extracted from Fenugreek seeds using response surface methodology to identify their chemical compositions
Authors: Yang Jie , Zhang Zhenzhen , Wu Qimeng , Ding Xiaoyuan , Yin Chenyang , Yang Endong , Sun Dongdong , Wang Weiyun , Yang Yunqiu , Guo Feng
Published: June 2022

Fenugreek seeds (Trigonella foenum‐graecum L.), one kind of traditional Chinese medicine, are reported to be of great potential as a new alternative in terms of their bioactive components. In our present study, an ultrasonic‐assisted method was applied in the extraction of antioxidative components from fenugreek seeds. Four factors: ethanol concentration, liquid–solid ratio, sonication time, and sonication power were selected and multiple responses were studied using the response surface methodology (RSM). The effects of factors along with the correlation between all responses (flavonoids content, 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) assay, OH− assay) were studied. The regression model indicated that all four factors are of significant effect on all responses. The model predicted that the ethanol concentration of 72%, solvent‐to‐material ratio of 35 ml/g, ultrasonic time of 41 min, and 500 W of power would provide a flavonoid yield of 9.10 mg/g, DPPH clearance of 80.33%, and OH− clearance of 24.28%, respectively. The confirmation test showed the closeness of the predicted results with those of experimental values. And AB‐8 resin was successfully used to purify the fenuellus hulusi seed extract, and the flavonoid concentration of 78.14% was obtained. Six flavonoids (Swertisin, Puerarin apioside, Jasminoside B, Astragalin, Apigenin‐7‐O‐beta‐D‐glucoside, and Apiin) were successfully identified by the liquid chromatography–mass spectrometry (LC–MS) analysis.
Do Mini–Mental State Examination and Montreal Cognitive Assessment predict high‐cost health care users? A competing risks analysis in The Irish Longitudinal Study on Ageing
Authors: May Peter , De Looze Céline , Feeney Joanne , Matthews Soraya , Kenny Rose Anne , Normand Charles
Published: June 2022

Objectives

Policymakers want to better identify in advance the 10% of people who account for approximately 75% of health care costs. We evaluated how well Mini–Mental State Examination (MMSE) and Montreal Cognitive Assessment (MoCA) predicted high costs in Ireland.

Methods/Design

We used five waves from The Irish Longitudinal Study on Ageing, a biennial population‐representative survey of people aged 50+ (2010–2018). We used competing risks analysis where our outcome of interest was “high costs” (top 10% at any wave) and the competing outcome was dying or loss to follow‐up without first having the high‐cost outcome. Our binary predictors of interest were a ‘low score’ (bottom 10% in the sample) in MMSE (≤25 pts) and MoCA (≤19 pts) at baseline, and we calculated sub‐hazard ratios after controlling for sociodemographic, clinical and functional factors.

Results

Of 5856 participants, 1427 (24%) had the ‘high cost’ outcome; 1463 (25%) had a competing outcome; and 2966 (51%) completed eight years of follow‐up without either outcome. In multivariable regressions a low MoCA score was associated with high costs (SHR: 1.38 (95% CI: 1.2–1.6) but a low MMSE score was not. Low MoCA score at baseline had a higher true positive rate (40%) than did low MMSE score (35%). The scores had similar association with exit from the study.

Conclusions

MoCA had superior predictive accuracy for high costs than MMSE but the two scores identify somewhat different types of high‐cost user. Combining the approaches may improve efforts to identify in advance high‐cost users.
Impact of Industry 4.0 adoption on workload demands in contact centers
Authors: Tortorella Guilherme L. , Prashar Anupama , Saurin Tarcisio A. , Fogliatto Flavio S. , Antony Jiju , Junior Guido C.
Published: June 2022

This paper examines the impact of Industry 4.0 (I4.0) technologies on employees workload in contact centers. For that, we adopted the NASA task load index questionnaire to assess the workload of 100 employees from different contact centers in India that have been adopting I4.0 technologies. The collected data is analyzed through multivariate techniques. This study is grounded on concepts from the multiple resource theory. Our findings indicate positive and negative effects of I4.0 on employees workload, conditioned on the adopted technologies (i.e., Internet‐of‐Things, cloud computing, big data, machine learning/artificial intelligence, remote monitoring, and wireless sensors) and workload dimensions considered (i.e., mental demand, physical demand, temporal demand, overall performance, effort, and frustration level). Identifying I4.0's impacts on employees workload allows planning of managerial efforts to mitigate potential issues while setting clear expectations related to the digital transformation of contact centers' processes and services.
Human error in maintenance: A case study from China
Authors: Duan Dini , Zhang Zhisheng , Xia Zhijie
Published: June 2022

Human error is an essential factor that affects the quality and safety of industrial production. To deeply understand the human factors that cause failures in an organization from the perspective of maintenance personnel, we propose an analytical approach combined with Fault Tree Analysis and qualitative analysis and apply this approach to maintenance task failure incidents. These proposed methods are based on human factor classification and the Human Factors Analysis and Classification System. We conduct a case study to prove the effectiveness of applying our approach to the Chinese manufacturing industry. Results enabled the disclosure of the “latent factors” of maintenance incidents, helped improve human error analysis in maintenance incidents and helped to understand the fundamental reasons that affect work reliability and cause maintenance failures. This case study focuses on the impact of critical human factors on organizational effectiveness and operational reliability during maintenance activities.
The Role of Hydrazine in Colorimetric Probes Based on Ferrocene Derivative
Authors: Ma Xueyan , Liu Lixia , Wang Jia , Hao Yongbing , Xu Xiufang , Shang Xuefang
Published: June 2022

Two colorimetric and fluorescent probes based on ferrocene derivatives have been designed and synthesized. Among studied anions (F−, AcO−, H2PO4−, Cl−, Br− and I−), probe 1 with p‐nitrophenyl hydrazine structure has the strongest binding ability for F−, as well as probe 2 for H2PO4−. It had strong binding ability and was not affected by other anions. The determination limit of 1 toward F− was 5.0×10−6 mol⋅L−1 which can be used for the trace detection of F−. The interacted process of host–guest accompanied by colorimetric changes and increment in fluorescent intensity of the probes. A 1H‐NMR titration experiment and theoretical investigation indicated that −NH in hydrazine participated in the interaction, and the hydrogen‐bonding formed between the probes and anions. These results provided an essential clue to the developing the colorimetric probe based on hydrazine participation.
Significance of hemogram‐derived ratios for predicting in‐hospital mortality in COVID‐19: A multicenter study
Authors: Asaduzzaman MD , Romel Bhuia Mohammad , Nazmul Alam ZHM , Zabed Jillul Bari Mohammad , Ferdousi Tasnim
Published: June 2022

Background

To address the problem of resource limitation, biomarkers having a potential for mortality prediction are urgently required. This study was designed to evaluate whether hemogram‐derived ratios could predict in‐hospital deaths in COVID‐19 patients.

Materials and Methods

This multicenter retrospective study included hospitalized COVID‐19 patients from four COVID‐19 dedicated hospitals in Sylhet, Bangladesh. Data on clinical characteristics, laboratory parameters, and survival outcomes were analyzed. Logistic regression models were fitted to identify the predictors of in‐hospital death.

Results

Out of 442 patients, 55 (12.44%) suffered in‐hospital death. The proportion of male was higher in nonsurvivor group (61.8%). The mean age was higher in nonsurvivors (69 ± 13 vs. 59 ± 14 years, p < 0.001). Compared to survivors, nonsurvivors exhibited higher frequency of comorbidities, such as chronic kidney disease (34.5% vs. 15.2%, p ≤ 0.001), chronic obstructive pulmonary disease (23.6% vs. 10.6%, p = 0.011), ischemic heart disease (41.8% vs. 19.4%, p < 0.001), and diabetes mellitus (76.4% vs. 61.8%, p = 0.05). Leukocytosis and lymphocytopenia were more prevalent in nonsurvivors (p < 0.05). Neutrophil‐to‐lymphocyte ratio (NLR), derived NLR (d‐NLR), and neutrophil‐to‐platelet ratio (NPR) were significantly higher in nonsurvivors (p < 0.05). After adjusting for potential covariates, NLR (odds ratio [OR] 1.05; 95% confidence interval [CI] 1.009‐1.08), d‐NLR (OR 1.08; 95% CI 1.006‐1.14), and NPR (OR 1.20; 95% CI 1.09‐1.32) have been found to be significant predictors of mortality in hospitalized COVID‐19 patients. The optimal cut‐off points for NLR, d‐NLR, and NPR for prediction of in‐hospital mortality for COVID‐19 patients were 7.57, 5.52 and 3.87, respectively.

Conclusion

Initial assessment of NLR, d‐NLR, and NPR values at hospital admission is of good prognostic value for predicting mortality of patients with COVID‐19.
Diffusion‐thermo effect on MHD dissipative flow past a porous vertical plate through porous media
Authors: Choudhury Kangkan , Agarwalla Suman , Ahmed Nazibuddin
Published: June 2022

In this study, we investigate the heat and mass transfer in MHD convective flow past an infinite plate, through a porous media in presence of radiation, diffusion‐thermo effect, and heat sink. A uniform magnetic field is applied transversely in the fluid region. The novelty of the present work is to analyze the diffusion‐thermo effect on the flow phenomena in the presence of heat sink and thermal radiation. The governing equations are solved by perturbation technique to get expressions for velocity, temperature, and concentration fields. The influence of various physical quantities on the flow domain is studied graphically and in tabular form. It has been found that when heat flux is generated due to temperature gradient, the fluid velocity increases whereas the fluid temperature falls due to the diffusion‐thermo effect. The current results have been compared with the existing results in some cases and it has been found that the findings of the present study are consistent with earlier findings.
The responses of three dominant species to increased rainfall under different grazing systems in a desert steppe
Authors: Song Yifan , Liu Tiejun , Wang Jing , Lu Yajing , Guo Jianying , Dong Zhi , Wen Yunhao , Pei Zhiyong
Published: June 2022

Compared with drought stress, our knowledge about the potential precipitation increase in desert steppes and its ecological effects is still limited. In order to improve our understanding of the responses of desert steppe plants to climate change and human activities, we performed a 3‐year‐long controlled water addition experiment in grasslands with different grazing systems. The results showed that increased water changed the plant height/above‐ground biomass/leaf‐tissue thickness of Stipa breviflora Griseb., Cleistogenes squarrosa (Trin.) Keng and Convolvulus ammannii Desr. by +23.86%/+77.35%/−19.09%, +14.67%/+162.34%/−16.62% and + 29.14%/+69.37%/−22.85%, respectively, compared to those in the control group. The net photosynthetic rate, stomatal conductance, transpiration rate and water‐use efficiencies of these three types of plants increased by 0.32%–43.71% with water addition, compared to the corresponding parameters in the control group. We also found that plant responses to increased rainfall were not always positive. Under the unique environmental conditions of desert steppes, increase in rainfall has a limited restorative effect on vegetation and an excessive increase in rainfall may actually inhibit plant growth and exacerbate grazing grassland degradation. Compared to rotational grazing and continuous grazing grasslands, plants in enclosed grasslands had higher restoration thresholds and better restorative effect following increased rainfall. Enclosure increased the adaptability and resilience of grazing grassland plants towards increased rainfall. Under the background of increased rainfall, while we look forward to the ecological restoration in desert steppe, we also need to be alert to the potential adverse effects of excessive rainfall on grazing grasslands.
The protective effects of NE 52‐QQ57 against interleukin‐33‐induced inflammatory response in activated synovial mast cells
Authors: Li Jianqiang , Chen Kunfeng , Zhao Zhijian
Published: June 2022

Cytokines‐mediated immunity is essential for the pathological development of rheumatoid arthritis (RA). Inhibition of signaling has suggested a potential remedial approach to RA. G protein‐coupled receptor 4 (GPR4) has been proven to possess a broad range of physiological functions, but its function in synovial mast cells and RA is less reported. In this study, the protective effects of NE 52‐QQ57, a GPR4 antagonist, against interleukin (IL)‐33‐challenged inflammatory response in activated synovial mast cells were investigated. We report that IL‐33 amplified GPR4 expression in HMC‐1 mast cells. The GPR4 antagonist NE 52‐QQ57 alleviated IL‐33‐caused secretions of IL‐17, interferon‐γ, and tumor necrosis factor‐α in HMC‐1 mast cells. Furthermore, we note that NE 52‐QQ57 reduced IL‐33‐induced expressions of matrix metalloproteinase‐2 (MMP‐2) and MMP‐9. Also, NE 52‐QQ57 inhibited cyclooxygenase 2 and prostaglandin E2 expression in IL‐33‐challenged cells. Also, NE 52‐QQ57 ameliorated IL‐33‐induced oxidative stress by reducing mitochondrial reactive oxygen species and 4‐hydroxynonenal. Mechanistically, NE 52‐QQ57 mitigated IL‐33‐induced activation of the p38/nuclear factor‐κB signaling pathway. We conclude that targeting GPR4 might be a promising strategy for RA treatment.
Protective effect of naringin against oxaliplatin‐induced peripheral neuropathy in rats: A behavioral and molecular study
Authors: Semis Halil S. , Kandemir Fatih M. , Caglayan Cuneyt , Kaynar Ozgur , Genc Aydın , Arıkan Sefik M.
Published: June 2022

Oxaliplatin (OXL) is a chemotherapeutic drug used for metastatic and other types of cancer, but it causes peripheral neuropathy as a dose‐limiting side effect. Herein, we used the rat model of OXL‐induced peripheral neuropathy to demonstrate the protective effects of naringin (NRG) in this neuropathy. In this study, rats were injected with OXL (4 mg/kg, body weight, i.p.) in 5% glucose solution 30 min after oral administration of NRG (50 and 100 mg/kg, body weight) on the 1st, 2nd, 5th, and 6th days. OXL caused sensory and motor neuropathy (as revealed by the hot plate, tail flick, rota‐rod, and cold hyperalgesia tests) in the sciatic nerve of rats. Coadministration of oral NRG alleviated OXL‐induced sensory and motor neuropathy. Levels of superoxide dismutase, catalase, glutathione peroxidase, nuclear factor erythroid 2‐related factor 2, Heme oxygenase‐1, nuclear factor‐κ B, tumor necrosis factor‐α, interleukin‐1β, Bax, Bcl‐2, caspase‐3, paraoxonase, mitogen‐activated protein kinase 14, neuronal nitric oxide synthase (nNOS), acetylcholinesterase, and arginase 2 in the sciatic nerve tissues were assessed by real‐time polymerase chain reaction. Moreover, the protein levels of caspase‐3, Bax, Bcl‐2, intercellular adhesion molecules‐1, glial fibrillary acidic protein, and nNOS were examined by Western blot analysis. NRG treatment significantly improved all the above‐mentioned parameters and reduced OXL‐induced oxidative stress, inflammation, and apoptosis in the sciatic nerve tissue. In conclusion, this study demonstrated that NRG significantly attenuated OXL‐induced peripheral neuropathy and might be considered as a new protective agent to prevent the OXL‐induced peripheral neuropathy.
Gastroprotective effect of vitamin U in D‐galactosamine‐induced hepatotoxicity
Authors: Topaloglu Dileknur , Turkyilmaz Ismet Burcu , Yanardag Refiye
Published: June 2022

Galactosamine (GalN) is a well‐known agent for inducing viral hepatitis models in rodents, but it can cause toxicity on different organs. Vitamin U (Vit U) has been proved as a powerful antioxidant on many toxicity models. The present study was designed to investigate the protective effects of Vit U on GalN‐induced stomach injury. Rats were divided into four groups as follows: control (group I), Vit U given animals (50 mg/kg per day; group II), GalN administered animals (500 mg/kg at a single dose; group III), GalN + Vit U given animals (at the same dose and time, group IV). At the end of the 3rd day, animals were killed, and stomach tissues were taken. They were homogenized and centrifuged. In comparison to the control group, glutathione, total antioxidant capacity levels, catalase, superoxide dismutase, glutathione peroxidase, glutathione reductase, glutathione‐S‐transferase, and Na+/K+‐ATPase activities of GalN group were found to be decreased. On the contrary, lipid peroxidation, advanced oxidized protein products, hexose‐hexosamine, fucose, sialic acid, reactive oxygen species levels, as well as the activities of myeloperoxidase, xanthine oxidase, and lactate dehydrogenase were elevated. Administration of Vit U reversed these abnormalities in the GalN group. It can be concluded that Vit U exerts its unique antioxidant effect and prevents GalN‐induced gastric damage.
Theoretical exploration of the reactivity of cellulose models under non‐thermal plasma conditions—mechanistic and NBO studies
Authors: Lamine Walid , Guégan Frédéric , Jérôme François , Frapper Gilles
Published: June 2022

Mechanistic details of cellulose depolymerization by non‐thermal (atmospheric) plasma (NTAP) remains under‐explored given the complexity of the medium. In this study, we have investigated the reaction mechanism of glycosidic‐bond degradation triggered by reaction with hydroxyl radicals, considered as the principal reactive species in NTAP medium. In the first step of reaction sequence, H‐abstraction reactions by HO‧. radical on different CH sites of the pyranose ring were found to be non‐selective and markedly exergonic giving rise to a set of cellobiosyl carboradicals likely to undergo further reactions. We then showed that cellobiosyl carboradicals are protected against direct hydrolysis, no activation of the (1–4)‐ ‐glycosidic bond being characterized. Interestingly, a simple homolytic bond cleavage allowed to obtain desired monomer. Among the 18 possible fragmentations, involving CC and CO bond breaking from cellobiosyl carboradicals, 14 transition states were successfully identified, and only three reaction pathways proved kinetically and thermodynamically feasible. Natural bond orbital (NBO) analysis was performed to shed light on electronic structures of different compounds.
Assessment of density functional approximations for N2 and CO2 physisorption on benzene and graphene
Authors: Rayón Víctor M. , Cabria Iván
Published: June 2022

Experimental isotherms of N2 and CO2 on carbon‐based porous materials and models of the physisorption of gases on surfaces are used to obtain the pore size distribution (PSD). An accurate modelization of the physisorption of N2 and CO2 on the surface of carbon‐based porous materials is important to obtain accurate N2 and CO2 storage capacities and reliable PSDs. Physisorption depends on the dispersion interactions. High precision ab initio methods, such as CCSD(T), consider accurately the dispersion interactions, but they are computationally expensive. Double hybrid, hybrid and DFT‐based methods are much less expensive. In the case of graphene, there are experimental data of the adsorption of N2 and CO2 on graphite that can be used to build the Steele interaction potential of these gases on graphene. The goal is to find out hybrid and/or DFT methods that are as accurate as the CCSD(T) on benzene and as accurate as the experimental results on graphene. Calculations of the interaction energy curves of N2 and CO2 on benzene and graphene have been carried out using the CCSD(T) method and several double hybrid, hybrid, and DFT methods that consider the dispersion interactions. The energy curves on benzene have been compared to the CCSD(T) and the energy curves on graphene have been compared with the Steele energy curves. The comparisons indicate that double hybrids with dispersion corrections and ωB97 based DFT methods are accurate enough for benzene. For graphene, only the PBE‐XDM functional has a good agreement with the Steele energy curves.