bluuebunny/crossref_metadata_2025 huggingface dataset:
Board gender diversity and corporate environmental commitment: A subnational perspective
Authors: Naveed Khwaja , Khalid Fahad , Voinea Cosmina L. , Roijakkers Nadine , Fratostiteanu Cosmin
Published: March 2023

Within the expanding literature on the interplay of corporate governance and corporate environmental behavior, this study introspects the contrastingly reported relationship between board gender diversity (BGD) and corporate environmental commitment (CEC). It empirically explores the moderating effect of coercive (regulation stringency), normative (ethical standards), and mimetic pressures (following of peers), derived from the provincial level isomorphic exhibition of neo‐institutional theory, in the A‐share Chinese listed firms. Apart from confirming the aggregate level positive association between the variables, the findings also highlight the moderating effect of subnational institutional pressures on the relationship. While ruling out the endogeneity and establishing the robustness, the findings imply that the interplay of subnational institutional isomorphism and corporate governance in the case of BGD‐CEC relationship are likely both pertinent and prevalent. Moreover, the increase in BGD enhances the CEC of a firm, subject to the fulfillment of a province's specific boundary conditions, predefined by the unique set of subnational institutional pressures.
From “below chance” to “a single error is one too many”: Evaluating various thresholds for invalid performance on two forced choice recognition tests
Authors: Erdodi Laszlo A.
Published: March 2023

This study was designed to empirically evaluate the classification accuracy of various definitions of invalid performance in two forced‐choice recognition performance validity tests (PVTs; FCRCVLT‐II and Test of Memory Malingering [TOMM‐2]). The proportion of at and below chance level responding defined by the binomial theory and making any errors was computed across two mixed clinical samples from the United States and Canada (N = 470) and two sets of criterion PVTs. There was virtually no overlap between the binomial and empirical distributions. Over 95% of patients who passed all PVTs obtained a perfect score. At chance level responding was limited to patients who failed ≥2 PVTs (91% of them failed 3 PVTs). No one scored below chance level on FCRCVLT‐II or TOMM‐2. All 40 patients with dementia scored above chance. Although at or below chance level performance provides very strong evidence of non‐credible responding, scores above chance level have no negative predictive value. Even at chance level scores on PVTs provide compelling evidence for non‐credible presentation. A single error on the FCRCVLT‐II or TOMM‐2 is highly specific (0.95) to psychometrically defined invalid performance. Defining non‐credible responding as below chance level scores is an unnecessarily restrictive threshold that gives most examinees with invalid profiles a Pass.
Rbox: A web API for software integration with the R programming language
Authors: Konomos Antonios , Chountasis Spiros
Published: March 2023

This paper presents an inventive software interface for the integration of some extensively used information systems with the R programming environment. The contribution of this paper is two‐fold. First, a more comprehensive and specialized data analysis tool is provided. Second, a notable software code analysis model has been proposed to perform statistical tests and execute machine learning algorithms using the capabilities of the R programming language. The recommended application programming interface is successfully tested and evaluated based on a real‐life data set. The obtained results verify the high computing performance of the model in terms of the execution proceedings and achieved objectives.
Assessment of Biological Activities and Genomic Changes on Microorganisms, Wheat, and Wilding Arise from Poly(pyrazole)
Authors: Bozari Sedat , Cetin Adnan , Kurt Havva
Published: March 2023

The rapidly growing human population has led to duplicate food production and also reduced product loss. Although the negative effects of synthetic chemicals were recorded, they are still used as agrochemical. The production of non‐toxic synthetics makes their use particularly safe. The goal of our research is to evaluate antimicrobial activity of previously synthesized Poly(p‐phenylene‐1‐(2,5‐dimethylphenyl)‐5‐phenyl‐1H‐pyrazole‐3,4‐dicarboxy amide) (poly(PDPPD)) against selected Gram‐negative, Gram‐positive bacteria, and fungus. In addition, the possible genotoxic effects of the poly(PDPPD) were searched on Triticum vulgare and Amaranthus retroflexus seedlings using Random Amplified Polymorphic DNA (RAPD) marker. The binding affinity and binding energies of the synthesized chemical to B‐DNA were simulated with AutoDock Vina.

It was observed that the poly(PDPPD) affected most of the organisms in a dose‐dependent manner. Pseudomonas aeruginosa was the most affected species in tested bacteria at 500 ppm with 21.5 mm diameters. Similarly, a prominent activity was observed for tested fungi. The poly(PDPPD) decreased root and stem length of the Triticum vulgare and Amaranthus retroflexus seedlings and also reduced the genomic template stability (GTS) value of Triticum vulgare more than Amaranthus retroflexus. The binding energy of poly(PDPPD) was found in range of −9.1 and −8.3 kcal/mol for nine residues of B‐DNA.
Chemical Characterization and Multidirectional Biological Effects of Different Solvent Extracts of Arum elongatum: in Vitro and in Silico Approaches
Authors: Fawzi Mahomoodally Mohamad , Zengin Gokhan , Roumita Seebaluck‐Sandoram , Caprioli Giovanni , Mustafa Ahmed M. , Piatti Diletta , Yıldıztugay Evren , Ak Gunes , Esra Karadağ Ayşe , Khalid Asaad , Abdalla Ashraf N. , Ibrahim Uba Abdullahi , Demirci Fatih
Published: March 2023

Arum elongatum (Araceae) is widely used traditionally for the treatment of abdominal pain, arterial hypertension, diabetes mellitus, rheumatism and hemorrhoids. This study investigated the antioxidant properties, individual phenolic compounds, total phenolic and total flavonoid contents (HPLC/MS analysis), reducing power and metal chelating effects of four extracts obtained from A. elongatum (ethyl acetate (EA), methanol (MeOH), methanol/water (MeOH/water) and infusion). The inhibitory activity of the extracts were also determined against acetylcholinesterase, butyrylcholinesterase, tyrosinase, amylase and glucosidase enzymes. The MeOH/water extracts contained the highest amount of phenolic contents (28.85 mg GAE/g) while the highest total flavonoid content was obtained with MeOH extract (36.77 mg RE/g). MeOH/water demonstrated highest antioxidant activity against DPPH⋅ radical at 38.90 mg Trolox equivalent per gram. The infusion extract was the most active against ABTS+⋅ (133.08 mg TE/g). MeOH/water extract showed the highest reducing abilities with the CUPRAC value of 102.22 mg TE/g and the FRAP value of 68.50 mg TE/g. A strong metal chelating effect was observed with MeOH/water extract (35.72 mg EDTAE/g). The PBD values of the extracts ranged from 1.01 to 2.17 mmol TE/g. EA extract displayed the highest inhibitory activity against AChE (2.32 mg GALAE/g), BChE (3.80 mg GALAE/g), α‐amylase (0.56 mmol ACAE/g) and α‐glucosidase (9.16 mmol ACAE/g) enzymes. Infusion extract was the most active against tyrosinase enzyme with a value of 83.33 mg KAE/g. A total of 28 compounds were identified from the different extracts. The compounds present in the highest concentration were chlorogenic acids, 4‐hydroxybenzoic acid, caffeic acid, p‐coumaric acid, ferulic acid, isoquercitrin, delphindin 3,5‐diglucoside, kaempferol‐3‐glucoside and hyperoside. The biological activities of A. elongatum extracts could be due to the presence of compounds such as gallic acid, chlorogenic acids, ellagic acid, epicatechin, catechin, kaempferol, 4‐hydroxybenzoic acid, caffeic acid, p‐coumaric acid, ferulic acid, quercetin, isoquercitrin, and hyperoside. Extracts of A. elongatum showed promising biological activities which warrants further investigations in an endeavor to develop biopharmaceuticals.
New Combretastatin Analogs as Anticancer Agents: Design, Synthesis, Microtubules Polymerization Inhibition, and Molecular Docking Studies
Authors: Abdul Hussein Shaker A. , Razzak Mahmood Ammar A. , Tahtamouni Lubna H. , Balakit Asim A. , Yaseen Yahya S. , Al‐Hasani Rehab A.
Published: March 2023

A new series of 4‐(4‐methoxyphenyl)‐5‐(3,4,5‐trimethoxyphenyl)‐4H‐1,2,4‐triazole‐3‐thiol derivatives were synthesized as analogs for the anticancer drug combretastatin A‐4 (CA‐4) and characterized using FT‐IR, 1H‐NMR, 13CNMR, and HR‐MS techniques. The new CA‐4 analogs were designed to meet the structural requirements of the highest expected anticancer activity of CA‐4 analogs by maintaining ring A 3,4,5‐trimethoxyphenyl moiety, and at the same time varying the substituents effect of the triazole moiety (ring B). In silico analysis indicated that compound 3 has higher total energy and dipole moment than colchicine and the other analogs, and it has excellent distribution of electron density and is more stable, resulting in an increased binding affinity during tubulin inhibition. Additionally, compound 3 was found to interact with three apoptotic markers, namely p53, Bcl‐2, and caspase 3. Compound 3 showed strong similarity to colchicine, and it has excellent pharmacokinetics properties and a good dynamic profile. The in vitro anti‐proliferation studies showed that compound 3 is the most cytotoxic CA‐4 analog against cancer cells (IC50 of 6.35 μM against Hep G2 hepatocarcinoma cells), and based on its selectivity index (4.7), compound 3 is a cancer cytotoxic‐selective agent. As expected and similar to colchicine, compound 3‐treated Hep G2 hepatocarcinoma cells were arrested at the G2/M phase resulting in induction of apoptosis. Compound 3 tubulin polymerization IC50 (9.50 μM) and effect on Vmax of tubulin polymerization was comparable to that of colchicine (5.49 μM). Taken together, the findings of the current study suggest that compound 3, through its binding to the colchicine‐binding site at β‐tubulin, is a promising microtubule‐disrupting agent with excellent potential to be used as cancer therapeutic agent.
Bioresorbable scaffolds: Still alive in low‐risk coronary artery disease
Authors: Musumeci Giuseppe , Quadri Giorgio
Published: March 2023

Key Points

NeoVas bioresorbable scaffolds (BRS) showed promising results in terms of efficacy and safety at 3 years of follow‐up in a low‐risk population with noncomplex coronary artery disease.

Proper patient, lesion selection, and implantation technique are the keys to achieve optimal procedural and clinical results.

New platforms with improved radial strength and shorter resorption time could promote BRS spread to a higher risk population.
White sponge nevus of the oral cavity: Affecting members of two generations in a family
Authors: Gupta Abhishek , Lamichhane Ram Sudan , Redhu Anju
Published: March 2023

The typical feature is the autosomal dominant heritance and clinically dormant, non‐scarpalble, white diffuse, soft, thickened white plaques with a corrugated surface affecting mostly the buccal mucosa bilaterally which can substantially lead to the diagnosis of white sponge nevus.
Concepts of Computational Approach to Explore Heterogeneous Catalysts for Direct Methane Conversion
Authors: Tsuji Yuta , Yoshida Masataka , Yoshizawa Kazunari , Kamachi Takashi
Published: March 2023

The nonoxidative coupling of methane has attracted much attention because it yields two useful products: ethane and hydrogen. However, low conversion at low temperatures and carbon deposition at high temperatures are considered problematic. In this Concept article, a solution to these problems is presented. On the basis of the reaction enthalpy for the initial C−H bond cleavage of methane and the energy difference between C1 species (CH3 and CH) on the catalyst surface, a catalyst search guideline is provided to suppress carbon deposition while keeping the conversion rate as high as possible. Alloys are considered catalyst candidates. Few materials satisfy both of these requirements simultaneously; however, several alloys, including MgPt, are shown to be promising. The results of validation experiments for the catalytic performance of MgPt are also discussed.
Preparation of Carbon‐Supported Tungsten Carbides: Comparative Determination of Surface Composition and Influence on Cellulose Transformation into Glycols
Authors: Goc Firat , Epicier Thierry , Perret Noémie , Rataboul Franck
Published: March 2023

The chemical valorization of lignocellulosic biomass is of fundamental importance for the sustainable production of chemicals. Among them ethylene and propylene glycols are useful products that can be obtained from lignocellulose using heterogeneous catalysts. It has been reported that catalysts composed of supported Ni and W carbides promote this transformation. We intend in this article to bring new insights by reporting a deep investigation of Ni‐WxC/AC (x=1 or 2) materials, including the preparation modes, the comparison of the surface species composition and their impact on the catalytic cellulose hydrogenolysis into ethylene and propylene glycol. The composition of materials obtained by the preparation mode consisting in the co‐impregnation of W and Ni on the carbon support was influenced by the amount of W and Ni. It appears that a catalyst composed of 5 wt% Ni and 30 wt% of W allowed the formation of a material presenting only the W2C phase and two alloys Ni3W17 and Ni6W6C. The preparation mode consisting in forming WxC phases on the carbon support before Ni impregnation allowed the selective formation of W2C/AC or WC/AC depending on the carburization conditions. The catalyst prepared by the co‐impregnation showed the most important synergetic effect between Ni and W sites leading to high yields into ethylene and propylene glycol from cellulose, hemicellulose or pine wood. In addition, this catalyst showed a much higher stability with a good reusability.
Lower Energy Excitation of Water Soluble Near‐Infrared Emitting Mixed‐Ligand Metallacrowns
Authors: Nguyen Tu N. , Eliseeva Svetlana V. , Martinić Ivana , Carver Peggy L. , Lathion Timothée , Petoud Stéphane , Pecoraro Vincent L.
Published: March 2023

By combining advantages of two series of lanthanide(III)/zinc(II) metallacrowns (MCs) assembled using pyrazine‐ (pyzHA2−) and quinoxaline‐ (quinoHA2−) hydroximate building blocks ligands, we created here water‐soluble mixed‐ligand MCs with extended absorption to the visible range. The YbIII analogue demonstrated improved photophysical properties in the near‐infrared (NIR) range in cell culture media, facilitating its application for NIR optical imaging in living HeLa cells.
Potential of Integrated Semi‐Continuous Enzymatic Synthesis and Filtration Processes for Efficiency Enhancement
Authors: Hofmann Katrin , Hamel Christof
Published: March 2023

Galacto‐oligosaccharides (GOS), increasingly popular prebiotics, are synthesized by enzymatic conversion of lactose. Among others, the total production costs are significantly influenced by the costly enzyme. Therefore, it was investigated if the reuse and full recovery of the enzyme is feasible, followed by the development of a semi‐continuous process in order to maintain a consistent high GOS yield. As a preliminary step, the enzyme‐catalyzed reaction was recorded within the permissible operating parameters. It was successfully shown that steady high GOS yields can be synthesized semi‐continuously within a filtration plant functioning as an enzymatic membrane reactor.
ASGARD+: A New Modular Platform for Bacterial Antibiotic‐Resistant Analysis
Authors: Montero‐Vargas Maripaz , Saenz‐Rojas Alex , Suárez‐Esquivel Marcela , Ramirez‐Carvajal Lizbeth
Published: March 2023

ASGARD+ (Accelerated Sequential Genome‐analysis and Antibiotic Resistance Detection) is a command‐line platform for automatic identification of antibiotic‐resistance genes in bacterial genomes, providing an easy‐to‐use interface to process big batches of sequence files from whole genome sequencing, with minimal configuration. It also provides a CPU‐optimization algorithm that reduces the processing time. This tool consists of two main protocols. The first one, ASGARD, is based on the identification and annotation of antimicrobial resistance elements directly from the short reads using different public databases. SAGA, enables the alignment, indexing, and mapping of whole‐genome samples against a reference genome for the detection and call of variants, as well as the visualization of the results through the construction of a tree of SNPs. The application of both protocols is performed using just one short command and one configuration file based on JSON syntax, which modulates each pipeline step, allowing the user to do as many interventions as needed on the different software tools that are adapted to the pipeline. The modular ASGARD+ allows researchers with little experience in bioinformatic analysis and command‐line use to quickly explore bacterial genomes in depth, optimizing analysis times and obtaining accurate results. © 2023 Wiley Periodicals LLC.

Basic Protocol 1: ASGARD+ installation

Basic Protocol 2: Configuration files general setup

Basic Protocol 3: ASGARD execution

Support Protocol: Results visualization with Phandango

Basic Protocol 4: SAGA execution

Alternative Protocol 1: Container installation

Alternative Protocol 2: Run ASGARD and SAGA in container
Safe Entry to Ag(I)/Ag(III) Mixed Valence Salts Containing the Homoleptic Ag(III) Anion [Ag(CF3)4]−
Authors: Demonti Luca , Tabikh Hana , Saffon‐Merceron Nathalie , Nebra Noel
Published: March 2023

The synthesis of Naumann's AgI/AgIII mixed valence salt [AgI]+[AgIII(CF3)4]− (Ag‐1) is revisited. Ag‐1 is now safely available in half gram scale upon 2e− oxidation of AgF in presence of CF3SiMe3 and ambient air. In addition to its unprecedented crystallographic characterization, the use of Ag‐1 to build the novel AgI/AgIII salts [Ag(bpy)2]‐1, [Ag(18‐crown‐6)2]‐1, [Ag‐crypt‐222]‐1 and [Ag(PCy3)2]‐1 is herein reported, alongside their characterization by NMR, single crystal X‐ray diffraction (Sc‐XRD) and elemental analysis (EA). The utility of the currently affordable Ag‐1 in gold(I) catalysis was demonstrated by the excellent catalytic activity displayed by [{Au(PPh3)}2(μ‐Cl)]‐1 and [Au(PPh3)]‐1 in the 5‐exo‐dig cyclization of N‐propargylbenzamide (2). These cationic AuI catalysts are accessible from (PPh3)AuCl and Ag‐1, and outperform the activity of the well‐known benchmark catalyst (PPh3)AuNTf2.
Visible‐Light‐Induced Photocatalytic C3‐Trifluoroethylation of Quinoxalin‐2‐(1H)‐ones
Authors: Liu Jian , Huang Zhibin , Wang Cheng , Deng Zefeng , Xu Xu , Zeng Runsheng , Zhao Yingsheng
Published: March 2023

A visible‐light‐induced Rose bengal catalyzed C3‐trifluoroethylation of quinoxalin‐2‐(1H)‐ones is reported. A wide range of quinoxalin‐2‐(1H)‐ones was compatible, which led to the corresponding products in moderate to good yields. A gram‐scale reaction proceeded well and afforded an efficient route to prepare C3‐trifluoroethylated quinoxalin‐2‐(1H)‐ones.
Benefits of Fully Focused SAR Altimetry to Coastal Wave Height Estimates: A Case Study in the North Sea
Authors: Schlembach Florian , Ehlers Frithjof , Kleinherenbrink Marcel , Passaro Marcello , Dettmering Denise , Seitz Florian , Slobbe Cornelis
Published: March 2023

Estimating the three geophysical variables significant wave height
(SWH), sea surface height, and wind speed from satellite altimetry
continues to be challenging in the coastal zone because the received
radar echoes exhibit significant interference from strongly reflective
targets such as mud banks, sheltered bays, ships etc. Fully focused SAR
(FF-SAR) processing exhibits a theoretical along-track resolution of up
to less than half a metre. This suggests that the application of FF-SAR
altimetry might give potential gains over unfocused SAR (UF-SAR)
altimetry to resolve and mitigate small-scale interferers in the
along-track direction to improve the accuracy and precision of the
geophysical estimates. The objective of this study is to assess the
applicability of FF-SAR-processed Sentinel-6 Michael Freilich (S6-MF)
coastal altimetry data to obtain SWH estimates as close as possible to
the coast. We have developed a multi-mission FF-SAR processor and
applied the coastal retracking algorithm CORALv2 to estimate SWH. We
assess different FF-SAR and UF-SAR processing configurations, as well as
the baseline Level-2 product from EUMETSAT, by comparison with the
coastal, high-resolution SWAN-Kuststrook wave model from the Deltares
RWsOS North Sea operational forecasting system. This includes the
evaluation of the correlation, the median offset, and the percentage of
cycles with high correlation as a function of distance to the nearest
coastline. Moreover, we analyse the number of valid records and the L2
noise of the records. The case study comprises five coastal crossings of
S6-MF that are located along the Dutch coast and the German coast along
the East Frisian Islands in the North Sea. We find that the
FF-SAR-processed dataset with a Level-1b posting rate of 140 Hz shows
the greatest similarity with the wave model. We achieve a correlation of
~0.8 at 80% of valid records and a gain in precision of
up to 29% of FF-SAR vs UF-SAR for 1-3 km from the coast. FF-SAR shows,
for all cycles, a high correlation of greater than or equal to 0.8 for
1-3 km from the coast. We estimate the decay of SWH from offshore at 30
km to up to 1 km from the coast to amount to 26.4% +- 3.1%.
Studying the shelf life of butter containing fucoidan, by evaluating sensory and chemical properties
Authors: Alipour Ahmad , Marhamatizadeh Mohammad Hossein , Mohammadi Mehdi
Published: March 2023

Fucoidan powder was added in amounts of 0.05, 0.1,0.3, and 0.5% to sour cream butter and sensory and chemical properties were tested on their shelf life for 60 days during storage. Peroxide levels initially increased until day 40 of storage and then decreased. Butter samples from the control group had the highest amount of peroxide on day 40 (15.25 ± 1.41 meq/kg butter), while samples treated with fucoidan 0.5% had the lowest amount of peroxide (6.35 ± 0.53 meq/kg butter). The acidity of butter treatments increased during storage (p < .05). Butter samples from the control group had the highest acidity at 60 days of storage (0.40 ± 0.033 mg KOH / g butter), while samples treated with 0.5% fucoidan had the lowest acidity (0.17 ± 0.013 mg KOH / g butter). The treated butter samples showed the highest stability. Fucoidan, as an antioxidant, reduces the taste, odor, and discoloration of butter added with fucoidan during storage because it completely removes odorless tasteless powder, and the free radical chain is involved in oxidation and improves product properties. The results showed that there are no significant changes in the acceptance rate of butter treated with fucoidan during 60 days of storage in the refrigerator (p > .05). The sensory scores of the treated butter showed that the sensory properties during the storage period were similar to the control samples, but on day 40 of storage, they decreased. In general, a concentration of 0.5% fucoidan delays the oxidative process and increases shelf life and is selected as a superior treatment in terms of sensory evaluation, and is introduced as a functional food.
Novel antimicrobial/antioxidant Eremurus luteus root gum coating containing rosemary essential oil nanoemulsions for extension of chicken meat shelf life
Authors: Shahrampour Dina , Razavi Seyed M. A.
Published: March 2023

Herein, the effect of incorporation of rosemary essential oil (REO) nanoemulsions with the smallest (98.14 nm) and largest (148.04 nm) droplets' sizes at different concentrations (0%, 2%, and 4% v/v) in Eremurus luteus root gum (ELRG) coating solution on microbial, chemical, and sensory qualities of chicken fillets during cold storage was investigated. The results demonstrated a significant reduction in pH and TBA value and total viable microbial count (TVC) of chicken meat samples after using an active ELRG coating compared with the uncoated sample. Moreover, the properties of active ELRG coatings were more affected by the concentration of REO nanoemulsions than the size of their droplets. More antimicrobial and antioxidant activities were observed in coated samples containing 4% (v/v) REO nanoemulsions (L‐4 and S‐4). The highest and lowest pHs at the end of storage belonged to uncoated (6.89) and S‐4 coated (6.41) samples, respectively. Unlike the control sample (8th day), the microbial population in the active coated samples (>12th day) reached the threshold level (7 log CFU/g) later. The TBA value in the control and coated samples was 0.56 and 0.4–0.47 mg/kg after 12 days of cold storage, respectively. Increasing the REO nanoemulsion content from 2% to 4% (v/v) in the coating solution enhanced the score of sensory parameters such as odor, color, and total acceptance of the chicken meat, especially on the last day of cold storage. The obtained results suggested ELRG‐REO coatings as an effective strategy to delay the chemical and microbial deterioration of chicken meat fillets.
Mechanisms underlying the effect of voluntary running on adult hippocampal neurogenesis
Authors: Gao Yu , Syed Moosa , Zhao Xinyu
Published: March 2023

Adult hippocampal neurogenesis is important for preserving learning and memory‐related cognitive functions. Physical exercise, especially voluntary running, is one of the strongest stimuli to promote neurogenesis and has beneficial effects on cognitive functions. Voluntary running promotes exit of neural stem cells (NSCs) from the quiescent stage, proliferation of NSCs and progenitors, survival of newborn cells, morphological development of immature neuron, and integration of new neurons into the hippocampal circuitry. However, the detailed mechanisms driving these changes remain unclear. In this review, we will summarize current knowledge with respect to molecular mechanisms underlying voluntary running‐induced neurogenesis, highlighting recent genome‐wide gene expression analyses. In addition, we will discuss new approaches and future directions for dissecting the complex cellular mechanisms driving change in adult‐born new neurons in response to physical exercise.
Concentration‐Flux‐Steered Mechanism Exploration with an Organocatalysis Application
Authors: Bensberg Moritz , Reiher Markus
Published: March 2023

Investigating a reactive chemical system with automated reaction network exploration algorithms provides a more detailed picture of its chemical mechanism than what would be accessible by manual investigation. In general, exploration algorithms cannot uncover reaction networks exhaustively for feasibility reasons. They should therefore decide which part of a network is kinetically relevant under some external conditions given. Here, we propose an automated algorithm that identifies and explores kinetically accessible regions of a reaction network on the fly by explicit modeling of concentration fluxes through an (incomplete) reaction network that is emerging during automated first‐principles exploration. Key compounds are automatically identified and selected for the continuation of the exploration. As an example, we explore the reaction network of the multi‐component proline‐catalyzed Michael addition of propanal and nitropropene. Our algorithm provides a mechanistic picture of the Michael addition in unprecedented detail.
Oxymatrine and insulin resistance: Focusing on mechanistic intricacies involve in diabetes associated cardiomyopathy via SIRT1/AMPK and TGF‐β signaling pathway
Authors: Seksaria Sanket , Mehan Sidharth , Dutta Bhaskar J. , Gupta Ghanshyam D. , Ganti Subrahmanya S. , Singh Amrita
Published: March 2023

Cardiomyopathy (CDM) and related morbidity and mortality are increasing at an alarming rate, in large part because of the increase in the number of diabetes mellitus cases. The clinical consequence associated with CDM is heart failure (HF) and is considerably worse for patients with diabetes mellitus, as compared to nondiabetics. Diabetic cardiomyopathy (DCM) is characterized by structural and functional malfunctioning of the heart, which includes diastolic dysfunction followed by systolic dysfunction, myocyte hypertrophy, cardiac dysfunctional remodeling, and myocardial fibrosis. Indeed, many reports in the literature indicate that various signaling pathways, such as the AMP‐activated protein kinase (AMPK), silent information regulator 1 (SIRT1), PI3K/Akt, and TGF‐β/smad pathways, are involved in diabetes‐related cardiomyopathy, which increases the risk of functional and structural abnormalities of the heart. Therefore, targeting these pathways augments the prevention as well as treatment of patients with DCM. Alternative pharmacotherapy, such as that using natural compounds, has been shown to have promising therapeutic effects. Thus, this article reviews the potential role of the quinazoline alkaloid, oxymatrine obtained from the Sophora flavescensin CDM associated with diabetes mellitus. Numerous studies have given a therapeutic glimpse of the role of oxymatrine in the multiple secondary complications related to diabetes, such as retinopathy, nephropathy, stroke, and cardiovascular complications via reductions in oxidative stress, inflammation, and metabolic dysregulation, which might be due to targeting signaling pathways, such as AMPK, SIRT1, PI3K/Akt, and TGF‐β pathways. Thus, these pathways are considered central regulators of diabetes and its secondary complications, and targeting these pathways with oxymatrine might provide a therapeutic tool for the diagnosis and treatment of diabetes‐associated cardiomyopathy.
Associations of myosteatosis with disc degeneration: A 3T magnetic resonance imaging study in individuals with impaired glycaemia
Authors: Diallo Thierno D. , Rospleszcz Susanne , Fabian Jana , Walter Sven S. , Maurer Elke , Storz Corinna , Roemer Frank , Rathmann Wolfgang , Peters Annette , Jungmann Pia M. , Jung Matthias , Bamberg Fabian , Kiefer Lena S.
Published: March 2023

Background

Intervertebral disc degeneration (IVDD) may be linked to dysregulations of skeletal muscle glucose metabolism and fatty alterations of muscle composition (Myosteatosis). Our aim was to evaluate the different associations of magnetic resonance imaging (MRI)‐based paravertebral myosteatosis with lumbar disc degeneration in individuals with impaired glucose metabolism and normoglycaemic controls.

Methods

In total, 304 individuals (mean age: 56.3 ± 9.1 years, 53.6% male sex, mean body mass index [BMI]: 27.6 ± 4.7 kg/m2) from a population‐based cohort study who underwent 3‐Tesla whole‐body chemical‐shift‐encoded (six echo times) and T2‐weighted single‐shot‐fast‐spin‐echo MRI were included. Lumbar disc degeneration was assessed at motion segments L1 to L5, categorized according to the Pfirrmann score and defined as Pfirrmann grade > 2 and/or disc bulging/herniation on at least one segment. Fat content of the autochthonous back muscles and the quadratus lumborum muscle was quantified as proton density fat fraction (PDFFmuscle). Logistic regression models adjusted for age, sex, BMI and regular physical activity were calculated to evaluate the association between PDFFmuscle and outcome IVDD.

Results

The overall prevalence of IVDD was 79.6%. There was no significant difference in the prevalence or severity distribution of IVDD between participants with or without impaired glucose metabolism (77.7% vs. 80.7%, P = 0.63 and P = 0.71, respectively). PDFFmuscle was significantly and positively associated with an increased risk for the presence of IVDD in participants with impaired glycaemia when adjusted for age, sex and BMI (PDFFautochthonous back muscles: odds ratio [OR] 2.16, 95% confidence interval [CI] [1.09, 4.3], P = 0.03; PDFFquadratus lumborum: OR 2.01, 95% CI [1.04, 3.85], P = 0.04). After further adjustment for regular physical activity, the results attenuated, albeit approaching statistical significance (PDFFautochthonous back muscles: OR 1.97, 95% CI [0.97, 3.99], P = 0.06; PDFFquadratus lumborum: OR 1.86, 95% CI [0.92, 3.76], P = 0.09). No significant associations were shown in healthy controls (PDFFautochthonous back muscles: OR 0.62, 95% CI [0.34, 1.14], P = 0.13; PDFFquadratus lumborum: OR 1.06, 95% CI [0.6, 1.89], P = 0.83).

Conclusions

Paravertebral myosteatosis is positively associated with intervertebral disc disease in individuals with impaired glucose metabolism, independent of age, sex and BMI. Regular physical activity may confound these associations. Longitudinal studies will help to better understand the pathophysiological role of skeletal muscle in those with concomitant disturbed glucose haemostasis and intervertebral disc disease, as well as possible underlying causal relationships.
Removal and identification of external protein corona members from RBC‐derived extracellular vesicles by surface manipulating antimicrobial peptides
Authors: Singh Priyanka , Szigyártó Imola Cs. , Ricci Maria , Gaál Anikó , Quemé‐Peña Mayra Maritza , Kitka Diána , Fülöp Lívia , Turiák Lilla , Drahos László , Varga Zoltán , Beke‐Somfai Tamás
Published: March 2023

In the last years, extracellular vesicles (EVs), secreted by various cells and body fluids have shown extreme potential in biomedical applications. Increasing number of studies suggest that a protein corona could adhere to the surface of EVs which can have a fundamental effect on their function, targeting and therapeutical efficacy. However, removing and identifying these corona members is currently a challenging task to achieve. In this study we have employed red blood cell‐derived extracellular vesicles (REVs) as a model system and three membrane active antimicrobial peptides (AMPs), LL‐37, FK‐16 and CM15, to test whether they can be used to remove protein corona members from the surface of vesicles. These AMPs were reported to preferentially exert their membrane‐related activity via one of the common helical surface‐covering models and do not significantly affect the interior of lipid bilayer bodies. The interaction between the peptides and the REVs was followed by biophysical techniques, such as flow‐linear dichroism spectroscopy which provided the effective applicable peptide concentration for protein removal. REV samples were then subjected to subsequent size exclusion chromatography and to proteomics analysis. Based on the comparison of control REVs with the peptide treated samples, seventeen proteins were identified as external protein corona members. From the three investigated AMPs, FK‐16 can be considered as the best candidate to further optimize EV‐related applicability of AMPs. Our results on the REV model system envisage that membrane active peptides may become a useful set of tools in engineering and modifying surfaces of EVs and other lipid‐based natural particles.
Extracellular vesicles from bone marrow mesenchymal stem cells alleviate acute rejection injury after liver transplantation by carrying miR‐22‐3p and inducing M2 polarization of Kupffer cells
Authors: Zhou Minjie , Hui Jialiang , Gao Lin , Liang Jingyi , Wang Chengxinqiao , Xu Jian
Published: March 2023

Background

Acute rejection (AR) is a major problem following liver transplantation. Extracellular vesicles (EVs) are involved in various pathological processes including liver disease. The present study investigated the effect of EVs derived from bone marrow mesenchymal stem cells (BMSCs) on AR injury after orthotopic liver transplantation (OLT) in mice.

Methods

BMSCs and EVs were isolated and identified. The OLT mouse model was established using Kamada's two‐cuff method and injection with EVs, followed by liver function detection and measurement of inflammatory cytokines (interleukin‐10, interferon‐γ, and tumor necrosis factor‐α), M1 and M2 markers (tumor necrosis factor‐α, inducible nitric oxide synthase, resistin like alpha, and Arg1) were detected. Kupffer cells (KCs) were cultured and treated with lipopolysaccharides. miR‐22‐3p expression was detected. The effect of EVs‐shuttled miR‐22‐3p on Kupffer cell polarization was studied. Binding relation of miR‐22‐3p and interferon regulatory factor 8 (IRF8) was verified. The effect of IRF8 on KC polarization was verified.

Results

BMSC‐EV treatment enhanced liver function of OLT mice and alleviated AR and apoptosis, which were annulled after removing KCs. EVs induced KC M2 polarization. Mechanically, EVs carried miR‐22‐3p into KCs, upregulated miR‐22‐3p in KCs, and inhibited IRF8 expression. Upregulation of IRF8 in KCs inhibited EV‐induced KC M2 polarization.

Conclusions

BMSCs‐EVs carry miR‐22‐3p into KCs and upregulate miR‐22‐3p, inhibit IRF8 expression, induce KC M2 polarization, and attenuate AR injury after liver transplantation.
Spanners in randomly weighted graphs: Euclidean case
Authors: Frieze Alan , Pegden Wesley
Published: March 2023

Given a connected graph and a length function we let denote the shortest distance between vertex and vertex . A ‐spanner is a subset such that if denotes shortest distances in the subgraph then for all . We study the size of spanners in the following scenario: we consider a random embedding of into the unit square with Euclidean edge lengths. For constant, we prove the existence w.h.p. of ‐spanners for that have edges. These spanners can be constructed in time. (We will use to indicate that the hidden constant depends on ). There are constraints on preventing it going to zero too quickly.
KIR2DL4/HLA‐G polymorphisms were associated with HCV infection susceptibility among Chinese high‐risk population
Authors: Feng Zepei , Huang Peng , Zhang Jinwei , Xia Xueshan , Zhang A‐mei , Zeng Tian , Chen Qiong , Zhu Chuanlong , Tan Weilong , Zhang Yun , Yue Ming
Published: March 2023

Killer‐cell immunoglobulin‐like receptors 2DL4 (KIR2DL4) and the human leukocyte antigen class I‐G (HLA‐G) display vital parts in immune responses against hepatitis C virus (HCV) infection. We select four potentially functional single nucleotide polymorphisms (SNPs) of KIR/HLA to explore the associations between KIR2DL4/HLA‐G genetic variants and HCV infection results. In the present case‐control study, a total of 2225 HCV‐infected high‐risk subjects, including 1778 paid blood donors (PBD) and 447 drug users were consecutively recruited before treatment from 2011 to 2018. KIR2DL4‐rs660773, KIR2DL4‐rs660437, HLA‐G‐rs9380142, and HLA‐G‐rs1707 SNPs were sorted as genotypes in the subdivided groups, involving 1095 uninfected controls subjects, 432 spontaneous HCV clearance subjects and 698 HCV persistent infection subjects. After genotyping experiments using the TaqMan‐MGB assay, modified logistic regression was used to calculate the correlation among the SNPs and HCV infection. The SNPs were functionally annotated using bioinformatics analysis. Following adjusting by age, sex, alanine aminotransferase, aspartate aminotransferase, IFNL3‐rs12979860, IFNL3‐rs8099917, and the infection route, the logistic regression analysis discovered that KIR2DL4‐rs660773 and HLA‐G‐rs9380142 were correlated with vulnerability to HCV infection (all p < 0.05). In a locus‐dosage way, compared with subjects carrying the rs9380142‐AA or rs660773‐AA genotypes, subjects with rs9380142‐AG or rs660773‐AG/GG (all p < 0.05) were more vulnerable to HCV infection; the overall impact of their risk genotypes (rs9380142‐AGrs660773‐AG/GG) was correlated with an elevated incidence of HCV infection (ptrend < 0.001). In the Haplotype analysis, patients with haplotype AG were more likely to contract HCV compared to those with the highest common AA haplotype (p = 0.002) were higher in susceptibility to infect HCV. The SNPinfo web server estimated that rs660773 is a transcription factor binding site, whereas rs9380142 is a potential microRNA‐binding site. In two Chinese high‐risk population (PBD and drug uesrs), KIR2DL4 rs660773‐G and HLA‐G rs9380142‐G alleles polymorphisms are related to HCV susceptibility. KIR2DL4/HLA‐G pathway genes might affect the innate immune responses by regulating KIR2DL4/HLA‐G transcription and translation play a potential role in HCV infection.
Incidence and risk factors of myocarditis in hospitalized patients with COVID‐19
Authors: Keller Karsten , Sagoschen Ingo , Konstantinides Stavros , Gori Tommaso , Münzel Thomas , Hobohm Lukas
Published: March 2023

Myocarditis as cardiac involvement in coronavirus disease 2019 (COVID‐19)‐infection is well known. Real‐world data about incidence in hospitalized COVID‐19‐patients and risk factors for myocarditis in COVID‐19‐patients are sparse. We used the German nationwide inpatient sample to analyze all hospitalized patients with confirmed COVID‐19‐diagnosis in Germany in 2020 and stratified them for myocarditis. Overall, 176 137 hospitalizations (52.3% males, 53.6% aged ≥70 years) with confirmed COVID‐19‐infection were coded in Germany in 2020 and among them, 226 (0.01%) had myocarditis (incidence: 1.28 per 1000 hospitalization‐cases). Absolute numbers of myocarditis increased, while relative numbers decreased with age. COVID‐19‐patients with myocarditis were younger (64.0 [IQR: 43.0/78.0] vs. 71.0 [56.0/82.0], p < 0.001). In‐hospital case‐fatality was 1.3‐fold higher in COVID‐19‐patients with than without myocarditis (24.3% vs. 18.9%, p = 0.012). Myocarditis was independently associated with increased case‐fatality (OR: 1.89 [95% CI: 1.33−2.67], p < 0.001). Independent risk factors for myocarditis were age <70 years (OR: 2.36 [95% CI: 1.72−3.24], p < 0.001), male sex (1.68 [95% CI: 1.28−2.23], p < 0.001), pneumonia (OR: 1.77 [95% CI: 1.30−2.42], p < 0.001), and multisystemic inflammatory COVID‐19‐infection (OR: 10.73 [95% CI: 5.39−21.39], p < 0.001). The incidence of myocarditis in hospitalized COVID‐19‐patients in Germany was 1.28 cases per 1000 hospitalizations in 2020. Risk factors for myocarditis in COVID‐19 were young age, male sex, pneumonia, and multisystemic inflammatory COVID‐19‐infection. Myocarditis was independently associated with increased case‐fatality.
Comparing the incubation period, serial interval, and infectiousness profile between SARS‐CoV‐2 Omicron and Delta variants
Authors: Guo Zihao , Zhao Shi , Mok Chris Ka Pun , So Ray T. Y. , Yam Carrie Ho Kwan , Chow Tsz Yu , Chan Tony Chin Pok , Wei Yuchen , Jia Katherine Min , Wang Maggie Haitian , Chong Ka Chun , Yeoh Eng Kiong
Published: March 2023

In January 2022, the SARS‐CoV‐2 Omicron variants initiated major outbreaks and dominated the transmissions in Hong Kong, displacing an earlier outbreak seeded by the Delta variants. To provide insight into the transmission potential of the emerging variants, we aimed to compare the epidemiological characteristics of the Omicron and Delta variants. We analyzed the line‐list clinical and contact tracing data of the SARS‐CoV‐2 confirmed cases in Hong Kong. Transmission pairs were constructed based on the individual contact history. We fitted bias‐controlled models to the data to estimate the serial interval, incubation period and infectiousness profile of the two variants. Viral load data were extracted and fitted to the random effect models to investigate the potential risk modifiers for the clinical viral shedding course. Totally 14 401 confirmed cases were reported between January 1 and February 15, 2022. The estimated mean serial interval (4.4 days vs. 5.8 days) and incubation period (3.4 days vs. 3.8 days) were shorter for the Omicron than the Delta variants. A larger proportion of presymptomatic transmission was observed for the Omicron (62%) compared to the Delta variants (48%). The Omicron cases had higher mean viral load over an infection course than the Delta cases, with the elder cases appearing more infectious than the younger cases for both variants. The epidemiological features of Omicron variants were likely an obstacle to contact tracing measures, imposed as a major intervention in settings like Hong Kong. Continuously monitoring the epidemiological feature for any emerging SARS‐CoV‐2 variants in the future is needed to assist officials in planning measures for COVID‐19 control.
Toxic heavy metal/oxyanion tolerance in haloarchaea from some saline and hypersaline ecosystems
Authors: Tavoosi Nazanin , Akhavan Sepahi Abbas , Amoozegar Mohammad Ali , Kiarostami Vahid
Published: March 2023

Toxic heavy metal/oxyanion contamination has increased severely through the last decades. In this study, 169 native haloarchaeal strains were isolated from different saline and hypersaline econiches of Iran. After providing pure culture and performing morphological, physiological, and biochemical tests, haloarchaea resistance toward arsenate, selenite, chromate, cadmium, zinc, lead, copper, and mercury were surveyed using an agar dilution method. On the basis of minimum inhibitory concentrations (MICs), the least toxicities were found with selenite and arsenate, while the haloarchaeal strains revealed the highest sensitivity for mercury. On the other hand, the majority of haloarchaeal strains exhibited similar responses to chromate and zinc, whereas the resistance level of the isolates to lead, cadmium, and copper was very heterogeneous. 16 S ribosomal RNA (rRNA) gene sequence analysis revealed that most haloarchaeal strains belong to the Halorubrum and Natrinema genera. The obtained results from this study showed that among the identified isolates, Halococcus morrhuae strain 498 had an exceptional resistance toward selenite and cadmium (64 and 16 mM, respectively). Also, Halovarius luteus strain DA5 exhibited a remarkable tolerance against copper (32 mM). Moreover, strain Salt5, identified as Haloarcula sp., was the only strain that could tolerate all eight tested heavy metals/oxyanions and had a significant tolerance of mercury (1.5 mM).
Synergistic effect of biotic and abiotic factors drives microbiota succession and assembly in medium‐temperature Daqu
Authors: Pan Qianglin , Huang Jun , Zhang Suyi , Qin Hui , Dong Yi , Wang Xiaojun , Mu Yu , Tang Huifang , Zhou Rongqing
Published: March 2023

BACKGROUND

The feasibility of fortification techniques to improve the quality of medium‐temperature Daqu (MTD) by inoculation functional isolates has been demonstrated. However, it is unclear what is the effect of inoculation on the controllability during the MTD fermentation process. Here, inoculated a single strain of Bacillus licheniformis, and the microbiota composed of Bacillus velezensis and Bacillus subtilis, were used to investigate the synergistic effect of biotic and abiotic factors on the succession and assembly of the MTD microbiota during the process.

RESULTS

The biotic factors promoted the proliferation of microorganisms that arrived early at the MTD. Subsequently, this alteration might inhibit microorganisms that colonized later in the MTD microecosystem, thereby assembling a different but more stable microbial community. Moreover, the biotic factors making bacterial community assembly were dominated by variable selection earlier, whereas the fungal community assembly was dominated mainly by extreme abiotic factors rather than biotic factors. Interestingly, fermentation temperature and moisture were significantly associated with the succession and assembly of the fortified MTD community. Meanwhile, the effect of the environmental variables on endogenous variables was also significant. Thus, changes in endogenous variables could be mitigated by adjusting environmental variables to regulate the process of MTD fermentation.

CONCLUSION

Biotic factors cause rapid changes of the microbiota during the MTD fermentation process, which could be controlled indirectly by regulating environmental variables. Meanwhile, a more stable MTD ecological network might be beneficial for enhancing the stability of MTD quality. © 2023 Society of Chemical Industry.