bluuebunny/crossref_metadata_2025_split huggingface dataset:
In Silico Design of an Oseltamivir Derivative with Increased Affinity against Wild‐Type and Mutant Variants of Neuraminidase and Hemagglutinin of Influenza A H1N1 Virus
Authors: Jazmin García‐Machorro , Elaheh Mirzaeicheshmeh , Manuel Jonathan Fragoso‐Vázquez , Martiniano Bello , David Méndez‐Luna , Alám León‐Cardona , José Correa‐Basurto 
Published: June 2023

AbstractAntiviral resistance has turned into a world concern nowadays. Influenza A H1N1 emerged as a problem at the world level due to the neuraminidase (NA) mutations. The NA mutants conferred resistance to oseltamivir and zanamivir. Several efforts were conducted to develop better anti‐influenza A H1N1 drugs. Our research group combined in silico methods to create a compound derived from oseltamivir to be tested in vitro against influenza A H1N1. Here we show the results of a new compound derived from oseltamivir but with specific chemical modifications, with significant affinity either on NA (in silico and in vitro assays) or HA (in silico) from influenza A H1N1 strain. We include docking and molecular dynamics (MD) simulations of the oseltamivir derivative at the binding site onto NA and HA of influenza A H1N1. Additionally, the biological experimental results show that oseltamivir derivative decreases the lytic‐plaque formation on viral susceptibility assays, and it does not show cytotoxicity. Finally, oseltamivir derivative assayed on viral NA showed a concentration‐dependent inhibition behavior at nM, depicting a high affinity of the compound for the enzyme, corroborated with the MD simulations results, placing our designed oseltamivir derivative as a potential antiviral against influenza A H1N1.
Hypolipidemic Activity and Mechanism of Action of Sargassum fusiforme Polysaccharides
Authors: Tang Meng‐Ting , Jiang Hui , Wan Cheng , Wang Xiao‐Ling , Zhou Shaobo , Zhou Tao 
Published: June 2023

AbstractSargassum fusiforme polysaccharide (SFP) is a kind of biologically active macromolecule with biological functions. In this study, oxidative stress and high‐fat HepG2 cell models were established to investigate its lipid‐lowering activity and mechanism of action. It was found that SFP and its two isolated fractions had antioxidant effects on the cells. It was also found the polysaccharides decreased the content of total cholesterol and total triglyceride in the high‐fat cells. RT‐qPCR assays revealed that the three polysaccharides down‐regulated the mRNA expression level of ACC, PPARγ, and SREBP‐2. It could be concluded that the hypolipidemic effect of SFPs is achieved via multiple pathways, including the regulation on the expression level of lipid metabolism‐related key enzymes and factors, and binding with bile acids. The hypolipidemic effect of SFPs could be partially due to their antioxidant activity. SFPs developed in the present work have potential as ingredients of functional foods with hypolipidemic effect.
Phenolic Profiling, Antioxidant, and Antibacterial Activities of Selected Medicinal Plants from Tunisia
Authors: Hamrouni Hania , Othman Khadija Ben , Benmoussa Hasnia , Idoudi Sourour , Najjaa Hanen , Neffati Mohamed , Elfalleh Walid 
Published: June 2023

AbstractPhytochemical screening of aqueous extract from six medicinal wild plants grown in South‐eastern of Tunisia: Atriplex halimus, Teucrium polium, Moricandia arvensis, Deverra tortuoa, Haplophyllum tuberculatum and Polygonum equisetiforme were evaluated. Both decoction and ultrasound assisted extraction were used. Antioxidant, antibacterial proprieties, and phenolic profiling, using LC‐ESI‐MS method, were assessed. Total polyphenols, flavonoids, and condensed tannins contents ranged from 7.47±0.19 to 22.25±0.49 mg GAE/g Dw, 5.47±0.06 to 7.55±0.07 mg RE/g Dw, and 0.33±0.02 to 19.43±0.64 mg TAE/g Dw, respectively. Moreover, the reducing power and DPPH tests showed that P. equisetiforme (EC50: 12.50±0.50 μg/ml; DPPH⋅+: 213.49±4.24 mg TEAC/g DW), T. polium (EC50: 25.00±1.00 μg/ml; DPPH⋅+: 181.39±9.47 mg TEAC/g DW) as well as H. tuberculatum (EC50: 56.25±0.25 μg/ml; DPPH⋅+: 177.83±5.85 mg TEAC/g DW) extracts were the most effective natural antioxidants. For anti‐bacterial activity, the ultrasonic extract of H. tuberculatum showed the highest activity against both P. aeruginosa (13.50±0.71 mm) and S. aureus (13.00±0.00 mm) at 10 mg/ml. Furthermore 24 phenolic compounds were identified, with predominance of quinic acid, gallic acid, protocatechuic acid, syringic acid, p‐coumaric acid, trans‐ferulic acid, catechin (+), trans‐cinnamic and silymarin. These results were further consolidated by to heatmap clustering with P. equisetiforme, H. tuberculatum, T. polium as the main antioxidant and antibacterial sources which supports their domestication and industrial use.
Identification of Potential Bioactive Compounds from Aspergillus terreus against HCV NS3 Serine Protease
Authors: Lin Jun , Yang Li‐Yuan , Pan Zhi‐Di 
Published: June 2023

AbstractThis study was aimed to isolate bioactive compounds from the fermentation products of Aspergillus terreus, which could inhibit NS3 protease of hepatitis C virus (HCV). The bioactive compounds were isolated by reverse‐phase silica‐gel column chromatography, semi‐preparative reversed‐phase, and Sephadex LH‐20, and then their structures were elucidated through spectroscopic analysis. As a result, two small molecule compounds were isolated. Compound 1 was identified as a new benzaldehyde, (E)‐2,4‐dihydroxy‐6‐propenylbenzaldehyde. Compound 2 was identified as pleurone, which was obtained from microorganisms for the first time. Their inhibitory activities against HCV NS3 protease (IC50) were 32.6 μM and 78.9 μM, respectively. This study provided a new option for the development of anti‐HCV drugs.
Anti‐Inflammatory Steroids from the South China Sea Soft Coral Lobophytum sarcophytoides
Authors: Li Song‐Wei , Liu Jiao , Fu Yan , Yao Li‐Gong , Zhang Hai‐Yan , Wang Hong , Guo Yue‐Wei 
Published: June 2023

AbstractThree new steroids, along with two known related analogs, were isolated from the Xisha Island soft coral Lobophytum sarcophytoides. The structures and absolute configurations of the new compounds were elucidated by extensive spectroscopic data analyses, time dependent density functional theory electronic circular dichroism calculation, and comparison with the spectral data previously reported in the literature. In in vitro bioassay, four compounds showed interesting suppressive effects on lipopolysaccharide (LPS) induced inflammation in BV‐2 microglial cells at 10 μM level.
Fix and pull technique for retrieval of intracoronary unexpanded‐stent entrapment
Authors: Yassin Ibrahim , Mosaad Mohamed A. , Hassan Ahmed M. , Abdelghani Mohammad 
Published: June 2023

AbstractDuring left main (LM) bifurcation PCI using T and small protrusion (TAP) technique, after deployment of LM‐left anterior descending (LAD) stent, left circumflex (LCx) stent was entangled at LM ostium with balloon and wire slippage. Ping‐pong (dual) guide catheters were used to simultaneously fix the LM‐LAD stent and snare the trapped stent. This technique proved effective in retrieving the lost stent and minimizing LM stent deformation.
Optimization of the Reaction Parameters of Immobilized Escherichia coli for β‐Cyclodextrin Production
Authors: Baharudin Nurul Nabila Huda , Che Man Rohaida , Md Illias Rosli , Sulaiman Siti Zubaidah , Abdul Manas Nor Hasmaliana , Wan Azelee Nur Izyan 
Published: June 2023

AbstractCyclodextrin (CD) is an important substance for chemical, pharmaceutical, and food industries. Conventionally, free Escherichia coli (E. coli) cells expressing recombinant cyclodextrin glucanotransferase (CGTase) are used as the biocatalyst for CD production, but the process struggles with low CGTase excretion and CD yield. In this study, E. coli cells were immobilized on hollow‐fiber membranes for β‐CD production, and the process and reaction parameters were optimized via response surface methodology. The reusability of the immobilized cells was also evaluated. The parameter optimization significantly improved β‐CD yield and CGTase excretion, making the process more attractive for industrial applications. The immobilized cells also revealed to be reusable multiple times.
Bacterial Cellulose‐Based Material from Coconut Water as Efficient Green Adsorbent for Heavy Metal Cations
Authors: Nguyen Hanh M. H. , Pham Co D. , Nguyen Khoa D. , Tran An T. T. , Le Nhan T. H. , Ho Phuoc H. , Le Ha V. 
Published: June 2023

AbstractNata de coco produced via coconut water fermentation using Acetobacter xylinum was directly applied to remove metal cations in aqueous solutions without any further chemical modification. Bacterial cellulose, contributing just 0.8 wt % to nata de coco, were randomly distributed and interconnected, yielding a three‐dimensional framework with high crystallinity and porosity. Due to these characteristics and the abundant presence of electron‐rich hydroxyl groups, unmodified bacterial cellulose in nata de coco exhibited a strong affinity to metal cations in water. The adsorption efficiency of nata de coco can be significantly improved to ∼30 and ∼45 mg g−1 for Pb2+ and Fe3+, respectively, by decreasing its size by grinding to decrease its size. Notably, nata de coco can adsorb multiple cations and the uptakes were almost similar for a 100‐fold scaled‐up adsorption volume.
Covalently Modified Kevlar Fabric Incorporating Graphene Oxide with Enhanced Antibacterial Properties and Preserved Strength
Authors: Canton‐Vitoria Ruben , Heliopoulos Nikolaos , Boukos Nikos , Vasilakos Sozon , Siamidis Dionysios , Stamatakis Kostas , Tagmatarchis Nikos 
Published: June 2023

AbstractThis work describes a multi‐step modification process for the covalent transformation of Kevlar fabric en route to the incorporation of graphene oxide (GO) nanosheets. Spectroscopic, thermal and microscopy imaging techniques have been employed to follow step‐by‐step the modification of Kevlar and the formation of the corresponding Kevlar‐GO hybrid fabric. The level of Kevlar's functionalization can be controlled with the nitration time, the first reaction in the multi‐sequence organic transformations, for obtaining the hybrid fabric with a content of GO up to 30 %. Most importantly, the covalent post‐modification of Kevlar does not occur in the expense of the other excellent mechanical properties of the fabric. Under optimal conditions, the Kevlar‐GO hybrid fabric shows a 20 % enhancement of the ultimate strength. Notably, when the Kevlar‐GO hybrid fabric was exposed to cyanobacterial Synechococcus the bacteria growth was fully inhibited. Overall, the covalently modified fabric demonstrated significant antibacterial behavior, excellent strength and stability under common processes. Due to its simplicity, the methodology presented in this work not only promises to result in a standard procedure to functionalize the mer units of Kevlar with a variety of chemicals and nanomaterials but it can be also extended for the modification and hybridization of other fabrics.
Enantioselective Synthesis of Chiral 2‐Nitroallylic Amines via Cooperative Cation‐Binding Catalysis
Authors: Park Jin Hyun , Maity Pintu , Paladhi Sushovan , Bae Han Yong , Song Choong Eui 
Published: June 2023

AbstractChiral allylic amines are valuable building blocks for biologically important compounds and natural products. In this study, we present the use of cooperative cation‐binding catalysis as an efficient method for synthesizing chiral allylic amines. By utilizing a chiral oligoEG and potassium fluoride as a cation‐binding catalyst and base, respectively, a wide range of biologically relevant chiral 2‐nitroallylic amines are obtained with excellent enantioselectivities (up to >99 % ee) through the organocatalytic asymmetric aza‐Henry‐like reaction of β‐monosubstituted and β,β‐disubstituted nitroalkenes with α‐amidosulfones as imine precursors. Extensive experimental studies are presented to illustrate plausible mechanisms. Preliminary use of a chiral 2‐nitroallylic amine as a Michael acceptor demonstrated its potential application for diversity‐oriented synthesis of bioactive compounds.
Multicomponent Reaction: Pd/Cu‐Catalyzed Borocarbonylation of Aryldiazonium Salts with Aliphatic Terminal Alkynes to gem‐Bis(boryl) Ketones
Authors: Zhu Fengxiang , Yin Pengpeng 
Published: June 2023

AbstractWe report the development of Pd/Cu‐catalyzed selective 2,1‐borocarbonylation reactions of aliphatic terminal alkynes with aryldiazonium salts and B2Pin2 to prepare gem‐bis(boryl) ketones in one‐pot. A series of corresponding products are obtained with good to excellent yields under a carbon monoxide atmosphere (10 bar). In addition, wide functional‐group tolerance can be observed. Preliminary mechanistic studies reveal that ethyl acetate serves as a proton source in the reaction.
Reactions of Tetra(o‐tolyl)diborane(4) with Organic Azides: Formation of Fluorescent Boron‐Fused Hexazenes
Authors: Yamamoto Masahiro , Chan Wing Chun , Lin Zhenyang , Yamashita Makoto 
Published: June 2023

AbstractThe reaction of tetra(o‐tolyl)diborane(4) with organic azides afforded three different compounds, diborylamines, diboryltriazenes, and B2‐hexazenes having a bicyclic B2N6 ring system. The reaction with aryl azides gave diborylamines, while the reaction with 1 equiv. of alkyl azides furnished diboryltriazenes. In the case of the reaction with an excess amount of primary alkyl azide, a new heterocyclic B2‐hexazenes were obtained. The formation of the B2N6 structure could be explained by one general reaction mechanism via the diboryltriazene intermediate according to the control experiments and DFT calculations. The B2‐hexazenes exhibited a strong fluorescence with a remarkably high fluorescent quantum yield of up to 96 %.
Palladium Iodide‐Catalyzed Selective Carbonylative Double Cyclization of 4‐(2‐Aminophenyl)‐3‐yn‐1‐ols to Dihydrofuroquinolinone Derivatives
Authors: Mancuso Raffaella , De Salvo Alex , Russo Patrizio , Falcicchio Aurelia , Ca’ Nicola Della , Munoz Leonardo Pantoja , Gabriele Bartolo 
Published: June 2023

Comprehensive SummaryThe PdI2/KI‐catalyzed oxidative carbonylation of 4‐(2‐aminophenyl)‐3‐yn‐1‐ols, bearing two potential nucleophilic groups in suitable position selectively leads to dihydrofuroquinolinone derivatives in fair to high yields (60%—89%) and excellent turnover numbers (180—267 mol of product per mol of Pd) over 19 examples, through a mechanistic pathway involving initial O‐cyclization followed by N‐cyclocarbonylation. In such process, the selective catalytic construction of two rings and three new bonds is achieved in one synthetic step to afford high value added fused heterocyclic structures starting from readily available materials.
A Cobalt(III) Corrole with a Tethered Imidazole for Boosted Electrocatalytic Oxygen Reduction Reaction
Authors: Gao Yimei , Mei Benxing , Wu Yizhen , Zhao Qian , Bao Zijia , Qin Haonan , Xu Yuhan , Lv Haoyuan , Peng Xinyang , He Yan , Luo Ting , Yao Ran , Zhang Wei , Lei Haitao , Cao Rui 
Published: June 2023

Comprehensive SummaryDeveloping electrocatalysts with high activity and selectivity for the oxygen reduction reaction (ORR) is vital to promote the performance of the next‐generation energy technologies, which depend on the efficiency of the catalytic reduction of dioxygen. In the structure of cytochrome c oxidases (CcOs), a histidine imidazole residue binding to the axial position of Fe plays a crucial role in facilitating the selective reduction of O2 to water. Inspired by nature, we herein report on the synthesis of CoIII corrole 1 tethered with an imidazole ligand as well as its electrocatalytic ORR and O2 binding features. As compared to the imidazolium‐free analogue, complex 1 displayed remarkably boosted activity for the selective four‐electron/four‐proton (4e‐/4H+) ORR with a half‐wave potential of E1/2 = 0.82 V versus reversible hydrogen electrode (RHE) in 0.1 mol/L KOH solutions. Importantly, we demonstrate that the tethered axial imidazole ligand improves the O2 binding ability of 1 thermodynamically and dynamically, which is crucial to boost electrocatalytic ORR performance. This work presents an example to improve electrocatalytic ORR activity and selectivity of Co corroles by introducing an axial imidazole ligand to enhance the O2 binding and activation.
Shades of gray in human white matter
Authors: Zouridakis Antonia , Ayala Ivan , Minogue Grace , Kawles Allegra , Keszycki Rachel , Macomber Alyssa , Bigio Eileen H. , Geula Changiz , Mesulam Marek‐Marsel , Gefen Tamar 
Published: June 2023

AbstractAnatomists have long expressed interest in neurons of the white matter, which is by definition supposed to be free of neurons. Hypotheses regarding their biochemical signature and physiological function are mainly derived from animal models. Here, we investigated 15 whole‐brain human postmortem specimens, including cognitively normal cases and those with pathologic Alzheimer's disease (AD). Quantitative and qualitative methods were used to investigate differences in neuronal size and density, and the relationship between neuronal processes and vasculature. Double staining was used to evaluate colocalization of neurochemicals. Two topographically distinct populations of neurons emerged: one appearing to arise from developmental subplate neurons and the other embedded within deep, subcortical white matter. Both populations appeared to be neurochemically heterogeneous, showing positive reactivity to acetylcholinesterase (AChE) [but not choline acetyltransferase (ChAT)], neuronal nuclei (NeuN), nicotinamide adenine dinucleotide phosphate‐diaphorase (NADPH‐d), microtubule‐associated protein 2 (MAP–2), somatostatin (SOM), nonphosphorylated neurofilament protein (SMI‐32), and calcium‐binding proteins calbindin‐D28K (CB), calretinin (CRT), and parvalbumin (PV). PV was more richly expressed in superficial as opposed to deep white matter neurons (WMNs); subplate neurons were also significantly larger than their deeper counterparts. NADPH‐d, a surrogate for nitric oxide synthase, allowed for the striking morphological visualization of subcortical WMNs. NADPH‐d‐positive subcortical neurons tended to embrace the outer walls of microvessels, suggesting a functional role in vasodilation. The presence of AChE positivity in these neurons, but not ChAT, suggests that they are cholinoceptive but noncholinergic. WMNs were also significantly smaller in AD compared to control cases. These observations provide a landscape for future systematic investigations.
Exchange Bias and Vertical Magnetic Shift on Co−CoO Thin Films
Authors: Belkacem Wajdi , Belhi Rachid , Thabet Mliki Najeh , Bouazizi Abdelaziz 
Published: June 2023

AbstractThis work reports the results of an experimental study on Si(001)/Au(111)/Co/CoO/ZrO2 elaborated by electron beam evaporation. The chemical composition of the oxidized state of cobalt and zirconium cover layers derived from metallic deposition is confirmed by X‐ray photoelectron spectroscopy (XPS). Magnetic properties are probed by magneto‐optical Kerr effect (MOKE). The polar magneto‐optic Kerr effect (PMOKE) measurements reveal that the cooling at 77 K under an applied magnetic field induces an exchange coupling which is manifested by a positive exchange bias (EB) field accompanied by a negative vertical shift of the magnetization. In longitudinal magneto‐optical Kerr effect (LMOKE), the exchange coupling depends on the orientation of the applied measuring magnetic field. It is found that both the exchange field shift rate hshift and the vertical shift rate in magnetization mshift exhibit a peak at 45° between the applied field and the [100] in‐plane direction which may be associated with the presence of uncompensated pinned spins at the Co−CoO interface.
Individualized estimated years from onset of Alzheimer's disease– related decline for adults with Down syndrome
Authors: Silverman Wayne , Krinsky‐McHale Sharon J. , Kovacs Cynthia , Lee Joseph H. , Listwan Tracy , Pang Deborah I. , Zigman Warren B. , Schupf Nicole 
Published: June 2023

AbstractIntroductionAdults with Down syndrome (DS) are at increased risk for Alzheimer's disease (AD) and vary in their age of transition from AD preclinical to prodromal or more advanced clinical stages. An empirically based method is needed to determine individual “estimated years from symptom onset (EYO),” the same construct used in studies of autosomal dominant AD .MethodsArchived data from a previous study of > 600 adults with DS were examined using survival analysis methods. Age‐specific prevalence of prodromal AD or dementia, cumulative risk, and EYOs were determined.ResultsIndividualized EYOs for adults with DS ranging in age from 30 to 70+ were determined, dependent upon chronological age and clinical status.DiscussionEYOs can be a useful tool for studies focused on biomarker changes during AD progression in this and other populations at risk, studies that should contribute to improved methods for diagnosis, prediction of risk, and identification of promising treatment targets.HIGHLIGHTS
Years from Alzheimer's disease (AD) onset (EYO) was estimated for adults with Down syndrome (DS).
EYOs were informed by AD clinical status and age, ranging from 30 to > 70 years.
Influences of biological sex and apolipoprotein E genotype on EYOs were examined.
EYOs have advantages for predicting risk of AD‐related dementia compared to age.
EYOs can be extremely informative in studies of preclinical AD progression.
DsbA‐L deletion attenuates LPS‐induced acute kidney injury by modulating macrophage polarization
Authors: Cui Pengcheng , Chen Chao , Cui Yan , Qiu Xia , Yue Kaiye , Li Tengfang , Zhang Hedong , Yuan Wenjia , Xie Yixin , Guo Yong , Tang Zhouqi , Li Yaguang , Peng Fenghua , Jiang Xin , Luo Xuewei , Peng Longkai , Qi Zhongquan , Dai Helong 
Published: June 2023

AbstractDisulfide bond A oxidoreductase‐like protein (DsbA‐L) drives acute kidney injury (AKI) by directly upregulating the expression of voltage‐dependent anion‐selective channels in proximal tubular cells. However, the role of DsbA‐L in immune cells remains unclear. In this study, we used an LPS‐induced AKI mouse model to assess the hypothesis that DsbA‐L deletion attenuates LPS‐induced AKI and explore the potential mechanism of DsbA‐L action. After 24 hours of LPS exposure, the DsbA‐L knockout group exhibited lower serum creatinine levels compared to the WT group. Furthermore, peripheral levels of the inflammatory cytokine IL‐6 were decreased. Transcriptomic data analysis revealed a significant down‐regulation in the IL‐17 and tumor necrosis factor pathways in DsbA‐L knockout mice following LPS induction. Metabolomic analysis suggested that arginine metabolism was significantly different between the WT and DsbA‐L knockout groups after LPS treatment. Notably, the M1 polarization of macrophages in the kidneys of DsbA‐L knockout AKI mice was significantly reduced. Expression of the transcription factors NF‐κB and AP‐1 was downregulated after DsbA‐L knockout. Our results suggest that DsbA‐L regulates LPS‐mediated oxidative stress, promotes M1 polarization of macrophages, and induces expression of inflammatory factors via the NF‐κB/AP‐1 pathway.