bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ameliorative effect ofLuffa cylindricafruits onCaenorhabditis elegansand cellular models of Alzheimer's disease‐related pathology via autophagy induction
Authors: Long Tao , Chen Xue , Qin Da‐Lian , Zhu Yun‐Fei , Zhou Yu‐Jia , He Yan‐Ni , Fu Hai‐Jun , Tang Yong , Yu Lu , Huang Fei‐Hong , Wang Long , Yu Chong‐Lin , Law Betty Yuen‐Kwan , Wu Jian‐Ming , Wu An‐Guo , Zhou Xiao‐Gang 
Published: July 2023

AbstractBackgroundAlzheimer's disease (AD) is a prevalent neurodegenerative disorder without an effective cure. Natural products, while showing promise as potential therapeutics for AD, remain underexplored.AimsThis study was conducted with the goal of identifying potential anti‐AD candidates from natural sources usingCaenorhabditis elegans(C. elegans) AD‐like models and exploring their mechanisms of action.Materials & MethodsOur laboratory's in‐house herbal extract library was utilized to screen for potential anti‐AD candidates using theC. elegansAD‐like model CL4176. The neuroprotective effects of the candidates were evaluated in multipleC. elegansAD‐like models, specifically targeting Aβ‐ and Tau‐induced pathology. In vitro validation was conducted using PC‐12 cells. To investigate the role of autophagy in mediating the anti‐AD effects of the candidates, RNAi bacteria and autophagy inhibitors were employed.ResultsThe ethanol extract of air‐dried fruits ofLuffa cylindrica(LCE), a medicine‐food homology species, was found to inhibit Aβ‐ and Tau‐induced pathology (paralysis, ROS production, neurotoxicity, and Aβ and pTau deposition) inC. elegansAD‐like models. LCE was non‐toxic and enhanced C. elegans' health. It was shown that LCE activates autophagy and its anti‐AD efficacy is weakened with the RNAi knockdown of autophagy‐related genes. Additionally, LCE induced mTOR‐mediated autophagy, reduced the expression of AD‐associated proteins, and decreased cell death in PC‐12 cells, which was reversed by autophagy inhibitors (bafilomycin A1 and 3‐methyladenine).DiscussionLCE, identified from our natural product library, emerged as a valuable autophagy enhancer that effectively protects against neurodegeneration in multiple AD‐like models. RNAi knockdown of autophagy‐related genes and cotreatment with autophagy inhibitors weakened its anti‐AD efficacy, implying a critical role of autophagy in mediating the neuroprotective effects of LCE.ConclusionOur findings highlight the potential of LCE as a functional food or drug for targeting AD pathology and promoting human health.
Seed biopriming at different concentrations to assess the effects of Cyanobacteria on germination and seedling performance of keystone arid species
Authors: Machado‐de‐Lima Nathali M. , Charlesworth James , Stewart Jana , Ooi Mark K. J. , Muñoz‐Rojas Miriam 
Published: July 2023

AbstractIntroductionBiocrust cyanobacteria have a large potential as biofertilizers for restoring degraded ecosystems because of their ability to improve soil nutrition and stabilisation, and to produce metabolites such as phytohormones to enhance plant growth. However, important aspects regarding the effects of cyanobacteria on native plants, such as metabolite production or concentration of inoculants, remain unknown. Here, we investigated the effects of different concentrations of cyanobacteria, on the germination and seedling growth of keystone plant species used in dryland restoration. We hypothesised that the studied inoculant would improve germination and seedling growth rates, with specific effects associated with the inoculant's concentration and metabolomic profiles.MethodsWe bioprimed seeds of four native plant species, using a cyanobacterial inoculant with different proportions of Nostoc and Leptolyngbya at two different concentrations. We recorded germination, measured seedling growth, and determined the corrected vigour for each treatment and species. Metabolites produced by the cyanobacterial inoculant were assessed to identify plant growth hormones potentially driving any effects.ResultsThere was a clear positive effect on the total germination of Triodia epactia and Triodia wiseana, but negative impacts for Senna notabilis and Grevillea wickhamii. There were also positive effects on root growth, but only for T. epactia, with negative or neutral impacts on the root and shoot growth of other species tested. We detected phytohormones, salicylic acid and indole‐3‐acetic acid, that were produced by our cyanobacteria inoculant, which are strongly linked to positive effects in early plant growth stages, but also known to inhibit growth when in higher concentrations.ConclusionThe positive effects of the biopriming protocol used are not uniform and highlight the need to improve our understanding of the effects provided both from different consortia and the concentrations applied when inoculating. There is a very high value in improving restoration outcomes for native vegetation communities in arid and semi‐arid regions.
Synthesis, Characterization and Antibacterial Assays of Novel N,N1‐Disubstituted 2,2′‐Dithiodianiline Derivatives
Authors: Skrickus Karolis , Šiugždaitė Jūratė , Lelešius Raimundas , Anusevičius Kazimieras , Grybaitė Birutė , Vaickelionienė Rita , Mickevičius Vytautas 
Published: July 2023

AbstractA series of novel 1,2‐bissubstituted disulfanes bearing beta‐amino acid, dihydropyrimidine‐2,4‐(1H,3H)‐dione, hydrazide, hydrazone and azole moieties were synthesized. The antibacterial activity was evaluated by determining minimum inhibition (by broth microdilution) and minimum bactericidal (by growth on agar) concentrations. The assessment revealed that MIC values for L. monocytogenes varied between 3.9 and 62.5 μg/mL as well as for S. aureus ranged between 7.8 and 250 μg/mL, with the exception of one compound with much weaker MIC of 500 μg/mL. The MBC values for L. monocytogenes have been found to be of 7.8–250 μg/mL, while S. aureus demonstrated the higher resistance and MBCs varied in the range of 7.8–500 μg/mL. The determined MBC/MIC ratios showed that eleven compounds were classified bactericidal agents for all tested bacteria.
A Core Structure Candidate for Small Molecule Acceptors: Synthesis and DFT Study of Furan Substituted 1,2,4‐Triazole Derivatives
Authors: Ekti Sultan Funda , Akış Merve , Öner Uğur 
Published: July 2023

AbstractThis study is based on the design, synthesis, and investigation of the physical and chemical properties of furan‐substituted new conjugated organic compounds containing 1,2,4‐triazole core unit. The structures of the synthesized compounds were elucidated by 1H NMR, 13C NMR, and HRMS spectroscopic techniques. The behavior of these compounds in different solvents under UV excitation was investigated. Experimental and computational results were evaluated by examining these behaviors with DFT method. The results show that M1−M6 compounds can be used as a new acceptor core structure for organic electronic devices. By doping these compounds with conjugated or chromophore groups, promising compounds with a low HOMO‐LUMO band gap in light technology can be designed and synthesized.
An Amperometric Acetylcholinesterase Biosensor Based on Polyvinyl‐Alcohol‐Capped Silver Nanoparticles (AgNPs@PVA) for Detection of Organophosphate Pesticides
Authors: Sarkar Dhruba Jyoti , Goswami Saswata , Sahu Swarupananda , Behera Bijay Kumar , Parida Pranaya , Das Shyamal Chandra Sukla , Das Basanta Kumar , Sarkar Partha , Pradhan Debabrata , Mukherjee Subhankar , Pal Souvik , Bansal Vipul 
Published: July 2023

AbstractIn the present study polyvinyl alcohol (PVA) capped AgNPs (AgNPs@PVA) were used as nanocarrier for fabrication of an acetylcholinesterase (AChE) biosensor for organophosphate (OP) pesticide detection. AChE enzyme was immobilized via glutaraldehyde on drop casted AgNPs@PVA layer on glassy carbon electrode (GCE) for fabrication of the electrochemical biosensor. Through differential pulse voltammetry (DPV) the biosensor measured peak current at 0.6 V generated by AChE mediated hydrolysis of acetylthiocholine (ATCl) to thiocholine and its subsequent oxidation to dimer. By hindering AChE hydrolysis activity of the sensor probe by a model OP pesticide, malathion, the pesticide biosensor was developed as the inhibition effect was found to be proportional to the concentration of malathion. The fabricated biosensor exhibits linearity at range of 0.01 to 1 ng/mL of malathion at optimal conditions with detection limit (LOD) of 2.6 pg/mL. The fabricated AChE biosensor showed good selectivity for OP pesticides and exhibited good efficiency in real sample analysis.
Titania Nanoparticle Catalysed N‐Alkylation of Amines by Hydrogen Auto‐Transfer Mechanisms
Authors: Krishnan Kala , Samaraj Elavarasan , Sanjeev Gupta , Bhat Venugopal T. , Manickam Sasidharan , Parasuraman Selvam , Thanikachalam Pushpa Malini 
Published: July 2023

AbstractUnlike well‐defined homogenous metal complex catalysts, no distinct heterogeneous catalysts are available for hydrogen auto‐transfer or borrowing hydrogen methodologies. Alternatively, a variety of noble metals, base metals, and bimetallic systems supported on various metal oxides are scrutinized for this purpose, mainly by modulating the ability of metals and supports in a multistep reaction. Herein, we demonstrate that pristine defect‐induced titania nanoparticle catalyst is an efficient and recyclable heterogeneous catalyst for the preparation of N‐alkylated products (>90 %) in the absence of expensive hydrogen source, costly ligands, additives, or costly metals under greener conditions. Furthermore, the nano‐sized titania catalyst tolerates functional groups with high yields. In addition, the ‐alkylation of aniline affords the corresponding alkylated products in d yields with long aliphatic alcohols. Finally, the results of the control tests show that a process of Hydrogen Auto transfer is responsible for carrying out the reaction.
Role of pH in the Hydrothermal Synthesis of TiO2 Nanorod Photocatalysts
Authors: Baqaei Ali , Sabbagh Alvani Ali Asghar , Sameie Hassan , Rosei Federico 
Published: July 2023

AbstractWe report the influence of pH on the hydrothermal growth of TiO2 nanostructures, observing variations in photocatalytic activity. Using comprehensive characterization techniques, we find that nanorod growth significantly depends on the synthesis conditions and that TiO2 mainly crystallizes in the rutile phase. A red shift in the absorption edge towards the visible region was observed by changing the initial HCl : H2O molar ratio, resulting in a tangible shift in the energy band gap from 3.54 eV to 2.95 eV. The highest photocatalytic degradation efficiency of methylene blue in aqueous solution under UV irradiation was achieved with an initial HCl : H2O molar ratio of 1 : 1 (86.5 % after 210 min). In parallel to the experimental results, the crystal structure, optical and electronic structure of the rutile TiO2 system and subsequently their influence on the photocatalytic activity were modeled using density functional theory calculations. The photocatalytic enhancement is attributed to higher density of states and expanded energy bands around the Fermi level, leading to a prolonged lifetime of photoinduced charge carriers and the higher charge transfer which is also measured by electrochemical impedance spectroscopy. Our results are promising towards the judicious design and synthesis of TiO2‐based photocatalysts.
Eutectic Mixtures to Enhance the Solubility of Active Pharmaceutical Ingredients: Density Functional Theory and Infrared Spectroscopy Approaches
Authors: Singh Raman Anirudh Pratap , Jain Pallavi , Kumar Ajay , Singh Prashant , Kumari Kamlesh , Bahadur Indra , Mohammad Faruq , Kaushik Nagendra Kumar 
Published: July 2023

AbstractThe major issue with active pharmaceutical ingredients (APIs) is their slow dissolution rate and solubility. This makes them less likely to get into the body and less bioavailable. About 40 % of the drugs already on the market and 90 % being made have APIs that do not dissolve well in water. To deal with this problem, authors have designed eutectic mixture (EMs) of different drugs (danazol, griseofulvin, mefenamic acid, tolfenamic acid and tadalafil) with zinc chloride; studied their interaction and thermodynamic parameters using Density Functional Theory (DFT) computation. DFT calculations confirm an increase in the dipole moment of their EMs in comparison of APIs alone which increases the solubility. The change in Gibbs free energy of formation of EMs in the gaseous phase shows their feasibility ans stability.
Synthesis, α‐Glucosidase Inhibitory Activity, and Molecular Docking Studies of Tri(benzo)‐5‐azacrownophanes with a γ‐Piperidone Moiety
Authors: Nhung Dao T. , Tram Nguyen N. , Tam Pham T. T. , Alekseeva Kseniia A. , Khrustalev Victor N. , Hoang Dang T. , Duan Le. T. , Anh Le. T. 
Published: July 2023

AbstractMulticomponent reactions (MCR) are power tools in modern organic synthesis. These reactions have many advantages over single component reactions, including saving time and chemicals. Moreover, compounds with complicated structures can be synthesized based on simple substrates and one‐step reactions, without the tedious work of separating intermediate compounds. Taking full advantage of this tool, over the past 10 years we have synthesized novel crown compounds with the successful introduction of different bioactive moieties into molecules. As part of our ongoing research, this study reports on the synthesis of a new type of crown ether based on a three component reaction of an aldehyde, a ketone, and ammonium acetate in dry solvent, at specific temperature. The structure of the new compounds was identified using physical‐chemical methods of analysis including IR, 1H & 13C NMR, HRMS and single‐X ray diffraction. The effects of the newly synthesized azacrown ethers on the enzyme α‐glucosidase were then explored and they were shown to be potential candidates in the search for new antidiabetic drugs. Among five tested compounds, two compounds are active again the enzyme α‐glucosidase and expressed IC50 values of 407.17±9.01 μM and 345.90±6.75 μM. Molecular docking studies were also performed to investigate the binding mode of the synthetic compounds to α‐glucosidase. Finally, ADMET parameters were assessed to investigate the relationship between structure and biological activities.
Synthesis of In : SnO2/La4NiS7 via Diethyldithiocarbamate‐Assisted Spin Coating: A Promising Route for High‐Performance Transparent Photoelectrochemical Energy Storage and Generation
Authors: Mahar Gul Mahwash , Shahzad Ahmad Khuram , Thomas Andrew Guy , A. A. Ibrahim 
Published: July 2023

AbstractConstructing nanostructures that fully boost the performance of all metals while offering a positive inter‐particle effect among frameworks is an efficient approach for enhancing electrochemical effectiveness. Elongated In : SnO2/La4NiS7 structure is created using diethyl dithiocarbamate complex. Investigations were done on the material‘s surficial, crystallographical and electrochemical characters. The direct optical band gap as determined by UV‐visible analysis was 2.9 eV. X‐ray photoelectron spectroscopy presented La3d and Ni2p core level. Electrical investigations of the transparent photoactive electrode in a photoelectrochemical cell showed an exceptional specific capacity of 906 F ⋅ g−1 at 5 mV ⋅ s−1 under illumination. Transient chronoamperometric response of the photoelectrode presented 35.3 mA photocurrent generation. Greater photocurrents were achieved at all scan rates in the existence of light indicating that the exposure to light positively impacted the electrode's performance. Undoubtedly, this work proposed a beneficial photoelectrode that‘s applicable to systems that generate electricity from renewable sources.
Focusing on New Piperazinyl‐methyl‐3(2H)pyridazinone Based Derivatives: Design, Synthesis, Anticancer Activity and Computational Studies
Authors: Merde İrem Bozbey , Önel Gülce Taşkor , Akkoç Senem , Karaköy Zeynep , Türkmenoğlu Burçin 
Published: July 2023

AbstractHeterocyclics containing pyridazinone and piperazine structures are potential anticancer agents in the treatment of cancer disease caused by increasing the number of abnormal cells disrupting body biochemistry. There is a need for the design of more biocompatible drugs for the treatment of cancer with minimal side effects. For this purpose, a series of piperazinyl‐methyl‐3(2H)pyridazinone based compounds were synthesized and their anticancer activities were studied in vitro and in silico. The chemical structures of all the new compounds 3 (a–k) were identified by spectral analysis. The new compounds were screened in human lung and colon cancer cell lines to learn about their cytotoxic effects. The importance of the structure activity relationship was seen in this study and the compounds containing methoxy groups on the phenyl ring (3 a, 3 b, 3 e–3 g) were found to have higher cytotoxic effects than those without. It was determined that one of these compounds (3 a) demonstrated significant cytotoxic effect against both cell lines for 72 h as in vitro. The geometry of the synthesized 3 a ligand was optimized using the hybrid B3LYP functional density functional theory (DFT). Molecular docking study of 3 a compound was performed against EGFR (PDB ID : 1M17) and VEGFR‐2 (PDB ID: 2RL5) molecular targets.
Porosint‐Supported PVDF Derivatives with Good Adsorption Performance and Recyclability for the Removal of Aqueous Heavy Metal Ions
Authors: Jin Kaihao , Lin Xing , Li Aiyuan , Wu Yinqiu , Zhang Jianfeng 
Published: July 2023

AbstractHeavy metal ions in water can affect human health. Taking Pb2+ for an example, it can lead to kidney failure and tumor infection. Polyvinylidene fluoride (PVDF) has been widely used as filter membranes in wastewater treatment. This paper uses citric acid (CA) as the connecting arm to graft carboxymethyl chitosan (CMCS) onto PVDF and prepare a novel granular molecular sieve‐supported PVDF derivative (s‐PVDF‐CA‐CMCS). The structure was characterized and the adsorption capacity for heavy metal ions was investigated. The results indicate that s‐PVDF‐CA‐CMCS has good adsorption performance for aqueous heavy metal ions, especially for Pb2+, with a removal rate of 99.39 % and an adsorption capacity of 198.41 μg/g. The adsorption data fits the pseudo‐second‐order kinetic model (R2=0.9992), and the removal rate of Pb2+ was 78.48 % after 5 cycles of adsorptions, indicating that s‐PVDF‐CA‐CMCS may be potential applications for removing heavy metal ions in water treatment.
Epoxidation of Cis‐cyclooctene with Hydrogen Peroxide Catalyzed by Lindqvist Type Polyoxometalates
Authors: Avcı Özbek Hülya , Demirhan Funda 
Published: July 2023

AbstractIn our study, a method for the epoxidation of cis‐cyclooctene was researched using a series of Lindqvist type POMs Cp*2MoxW6−xO17 (x=0, 2, 4, 6) and [Cp*MoxW6−xO18]− (x=0, 1, 5, 6) as a catalyst in the presence of 30 % H2O2 as a green oxidant. This catalytic system containing polyoxometalates and H2O2 has applied the most succesful system in obtaining epoxide product with excellent yields for cis‐cyclooctene in acetonitrile at 55 °C. Maximum epoxidation efficiency of 99 % was observed under optimized conditions for Ph4P[Cp*MoW5O18] (2c).
On the Protonation and Deuteration of Pyrroles**
Authors: Hartmann Horst , Schönewerk Jens 
Published: July 2023

AbstractOther than triarylamines, which are protonated by strong acids both at their N‐atom and aromatic rings, pyrrole and its N‐substituted derivatives were exclusively protonated at the carbon atoms of their heteroaromatic rings. Whereas with the strong trifluoromethane sulfonic acid (TFS) stable pyrrolium salts were obtained, with the weaker trifluoroacetic acid (TFA) oligomers are formed. E.g., from the N‐(tert‐butyl)pyrrole a dimeric compound could be unambiguously identified and structural characterised by means of 1H NMR measurements. Treatment of N‐aryl substituted pyrroles with deuterated TFS revealed an H/D exchange not only at the pyrrole rings but also at their aryl moieties even.
Synthesis and Evaluation of Quinazolin‐4(3H)‐one Derivatives as Multitarget Metabolic Enzyme Inhibitors: A Biochemistry‐Oriented Drug Design
Authors: Tokalı Feyzi Sinan , Taslimi Parham , Sadeghi Morteza , Şenol Halil 
Published: July 2023

AbstractIn this study, imines bearing quinazolin‐4(3H)‐one were synthesized and their inhibitory properties were investigated against some metabolic enzymes including Acetylcholinesterase (AChE), Butyrylcholinesterase (BChE), α‐Glycosidase (α‐Gly), and human Carbonic Anhydrase I–II (hCA I–II). All compounds had inhibitory strength with Ki values in the range of 38.55±4.08–159.05±10.68 nM and 41.04±6.73–177.12±8.06 nM against hCA I and hCA‐II, respectively in comparison to the standard acetazolamide (AZA) Ki=125.15±0.78 nM (for hCA‐I) and Ki=148.75±0.92 nM (for hCA‐II). The compounds showed potent inhibitory activity against α‐Gly enzyme with IC50 value 0.34–2.28 nM (standard inhibitor acarbose (ACR): 3.18 nM). Also, these analogs had potent inhibitory strength with Ki values in the range of 4.20±0.15–26.10±2.36 nM against AChE and 1.22±0.05–16.09±0.88 nM against BChE in comparison to the standard tacrine (TAC) Ki=37.62±6.86 nM (for AChE) and Ki=26.75±5.79 nM (for BChE). Additionally, the molecular docking and molecular dynamics simulation study was carried out for the determination of ligand‐enzyme interactions. The docking scores of the most active compound were calculated as −7.31, −7.59, −6.66, −6.93 and −7.11 kcal/mol for AChE, BChE, hCA I, hCA II, and α‐Gly, respectively.
Synthesis of Amidoxime‐modified Hollow Organic Porous Nanospheres for Efficient Uranium Adsorption from Aqueous Solution
Authors: Yang Han , Liu Jiakang , Wu Wenjin , Luo Yiqian , Mo Guanhuan , Huang Kun 
Published: July 2023

AbstractDespite its disadvantages, nuclear power still has some advantages over traditional fossil fuels and could have a part to play in solving the current energy crisis. Among them, nuclear waste (mainly uranium and plutonium) is the inevitable product of the extensive development and application of nuclear power, and its recovery and storage technology are on the focus of scientific research. Herein, amidoxime‐modified hollow organic porous nanospheres (HOPNs‐AO) were prepared by co‐hyper‐crosslinking from polylactide‐b‐polystyrene (PLA‐b‐PS) diblock copolymer and benzeneacetonitrile based on the Scholl coupling reaction. Owing to the specific adsorption property of amidoxime groups for uranyl ions, the obtained HOPNs‐AO exhibited excellent adsorption capacity (qmax=519.5 mg ⋅ g−1), chemical stability, and selectivity for uranyl ions in an aqueous solution. In addition, HOPNs‐AO can still maintain more than 80 % adsorption capacity in the fifth cycle. The above results indicate that the successful design of this material provides a meaningful way for the recovery of uranium ions in aqueous solution.
Rational Synthesis of Monodisperse Hollow Mesoporous Silica Nanospheres for Selective Adsorption
Authors: Wang Ruyi , Zhang Yuhui , Gu Shichun , Shen Jing , Wang Xue , He Yapeng 
Published: July 2023

AbstractMonodisperse hollow mesoporous silica nanospheres with large cavity (62 nm) in the inner core, small mesopores in the outer shell, and high specific surface area of 373 m2/g are successfully synthesized via one‐step dual‐template synthetic approach utilizing dodecyl sulfobetaine and sodium dodecyl benzenesulfonate as double templates. The architectures including particles sizes, outer shell thickness, and hollow structure could be effective regulated by simple adjusting the volume proportion of alcohols in the solution. Besides, the functions of alcohols in determining the critical micelle concentration and polarity of the synthesis system are elaborated. Owing to introduction of amino active sites in the outer shell, the prepared hollow mesoporous silica nanospheres deliver high loading capacity and favorable selectivity towards anionic dye molecules. The maximum uptake amount for methyl orange and eosin Y reaches as high as 359 mg/g and 332 mg/g, respectively.