bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractA 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

AbstractThe 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

AbstractThe 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

AbstractThe 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

AbstractBy 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

AbstractGalacto‐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

AbstractASGARD+ (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+ installationBasic Protocol 2: Configuration files general setupBasic Protocol 3: ASGARD executionSupport Protocol: Results visualization with PhandangoBasic Protocol 4: SAGA executionAlternative Protocol 1: Container installationAlternative 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

AbstractThe 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

AbstractA 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.
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

AbstractFucoidan 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

AbstractHerein, 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

AbstractAdult 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

AbstractInvestigating 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

AbstractCardiomyopathy (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

AbstractBackgroundIntervertebral 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.MethodsIn 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.ResultsThe 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).ConclusionsParavertebral 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.