The Royal Society of Chemistry最新文献

{"title":"Convenient synthesis and X-ray determination of 2-amino-6H-1,3,4-thiadiazin-3-ium bromides endowed with antiproliferative activity†","authors":"Hendawy N. Tawfeek, Alshaimaa Abdelmoez, Kholood A. Dahlous, Bahaa G. M. Youssif, Stefan Bräse, Kari Rissanen, Martin Nieger and Essmat M. El-Sheref","doi":"10.1039/D4RA02531H","DOIUrl":"https://doi.org/10.1039/D4RA02531H","url":null,"abstract":"<p >A new series of 1,3,4-thiadiazin-3-ium bromide derivatives <strong>9a–g</strong> were prepared as a six-member ring by interactions between 4-substituted thiosemicarbazides <strong>8a–e</strong> and α-halo ketones <strong>2a,b</strong>. The reaction was conducted using hydrazine-NH<small>₂</small> and yielded a hexagonal shape. The structures of all obtained compounds have been verified using IR, NMR spectra, mass spectrometry, elemental analysis, and X-ray crystallography. The X-ray crystallographic analysis of compounds <strong>9a</strong> and <strong>9b</strong> has revealed that the salt is formed with the nitrogen atom N3 when the aromatic substituents <strong>9a</strong> and <strong>9d</strong> are present, but in the case of compounds <strong>9b</strong>, <strong>9c</strong>, <strong>9e</strong>, <strong>9f</strong>, and <strong>9g</strong> with the aliphatic substituent, the salt is formed outside the ring. Compounds <strong>9a–g</strong> were evaluated for antiproliferative activity as multitargeted inhibitors. Results revealed that targets <strong>9a–g</strong> displayed good antiproliferative activity, with GI<small>₅₀</small> ranging from 38 nM to 66 nM against a panel of four cancer cell lines compared to the reference Erlotinib (GI<small>₅₀</small> = 33 nM). Compounds <strong>9a</strong>, <strong>9c</strong>, and <strong>9d</strong> were the most potent antiproliferative derivatives, with GI<small>₅₀</small> values of 43, 38, and 47 nM, respectively. Compounds <strong>9a</strong>, <strong>9c</strong>, and <strong>9d</strong> were evaluated for their inhibitory activity against EGFR, BRAF<small>^V600E</small>, and VEGFR-2. The <em>in vitro</em> experiments demonstrated that the compounds being examined exhibit potent antiproliferative properties and have the potential to function as multitargeted inhibitors. In addition, the western blotting investigation demonstrated the inhibitory effects of <strong>9c</strong> on EGFR, BRAF<small>^V600E</small>, and VEGFR-2.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":null,"pages":null},"PeriodicalIF":3.9,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra02531h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141453524","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Retraction: Novel hybrid QSPR-GPR approach for modeling of carbon dioxide capture using deep eutectic solvents","authors":"Iman Salahshoori, Alireza Baghban and Amirhosein Yazdanbakhsh","doi":"10.1039/D4RA90073A","DOIUrl":"https://doi.org/10.1039/D4RA90073A","url":null,"abstract":"<p >Retraction of ‘Novel hybrid QSPR-GPR approach for modeling of carbon dioxide capture using deep eutectic solvents’ by Iman Salahshoori <em>et al.</em>, <em>RSC Adv.</em>, 2023, <strong>13</strong>, 30071–30085, https://doi.org/10.1039/d3ra05360a.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":null,"pages":null},"PeriodicalIF":3.9,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra90073a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141453536","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-performance flexible resistive random-access memory based on SnS₂ quantum dots with a charge trapping/de-trapping effect.","authors":"Hua An, Yiyang Li, Yi Ren, Yili Wan, Weigao Wang, Zhenhua Sun, Junwen Zhong, Zhengchun Peng","doi":"10.1039/d4nr00745j","DOIUrl":"10.1039/d4nr00745j","url":null,"abstract":"<p><p>The application of resistive random-access memory (RRAM) in storage and neuromorphic computing has attracted widespread attention. Benefitting from the quantum effect, transition metal dichalcogenides (TMD) quantum dots (QDs) exhibit distinctive optical and electronic properties, which make them promising candidates for emerging RRAM. Here, we show a high-performance forming-free flexible RRAM based on high-quality tin disulfide (SnS₂) QDs prepared by a facile liquid phase method. The RRAM device demonstrates high flexibility with a large on/off ratio of ∼10⁶ and a long retention time of over 3 × 10⁴ s. The excellent switching behavior of the memristor is elucidated by a charge trapping/de-trapping mechanism where the SnS₂ QDs act as charge trapping centers. This study is of significance for the understanding and development of TMD QD-based flexible memristors.</p>","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":null,"pages":null},"PeriodicalIF":5.8,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141236392","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chemical and chemoenzymatic syntheses of sialyl Lewis^a tetrasaccharide antigen.","authors":"Yuanyuan Jiang, Shichao Duan, Jiaming Li, Yanli Zhao, Jinsong Yang","doi":"10.1039/d4ob00809j","DOIUrl":"https://doi.org/10.1039/d4ob00809j","url":null,"abstract":"<p><p>Sialyl Lewis^a (sLe^a), also known as cancer antigen 19-9, is a tumor-associated carbohydrate antigen. In this article, chemical and chemoenzymatic syntheses of a tetrasaccharide glycan 1 structurally derived from sLe^a are reported. Challenges involved in the chemical synthesis include the highly stereoselective construction of 1,2-<i>cis</i>-α-L-fucoside and α-D-sialoside, as well as the assembly of the 3,4-disubstituted <i>N</i>-acetylglucosamine subunit. Perbenzylated thiofucoside and <i>N</i>-acetyl-5-<i>N</i>,4-<i>O</i>-oxazolidinone protected sialic acid thioglycoside were employed as glycosyl donors, respectively, for the efficient preparation of the desired α-fucoside and α-sialoside. The 3,4-branched glucosamine backbone was established through a 3-<i>O</i> and then 4-<i>O</i> glycosylation sequence in which the 3-hydroxyl group of the glucosamine moiety was glycosylated first and then the 4-hydroxyl. A facile chemoenzymatic approach was also exploited to synthesize the target molecule. The chemically obtained free disaccharide 30 was sequentially sialylated and fucosylated in an enzyme-catalyzed regio- and stereospecific manner to form 1 in high yields. The linker appended 1 can be covalently attached to a carrier protein for further immunological studies.</p>","PeriodicalId":96,"journal":{"name":"Organic & Biomolecular Chemistry","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141453782","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Monte Carlo simulations of light transport in sunscreen formulations.","authors":"Bernd Herzog, Lena Bressel, Sorin Pulbere, Oliver Reich","doi":"10.1007/s43630-024-00605-7","DOIUrl":"https://doi.org/10.1007/s43630-024-00605-7","url":null,"abstract":"<p><p>Sunscreens are used for the protection of human skin against the harmful effects of solar UV radiation. Due to the low thickness of sunscreen films typically applied to the skin, it can be challenging to achieve the strong absorbance needed for good UV-protection, and most efficient sunscreen compositions are desirable. The presence of scattering particles can increase the efficacy of dissolved UV-absorbers in the oil or water phases of the formulation. As many sunscreens contain UV-absorbing particles, it is of interest how much the scattering effect of such materials contribute to the protection of the respective sunscreen. The currently available software programs for simulating sunscreen performance are based on a Beer-Lambert law approach and do not take into account such scattering effects of particles. However, Monte Carlo simulations of the UV-light transport through sunscreen films are capable to take scattering from particles into consideration. Using Monte Carlo simulations, this work shows that the efficacy of absorbance is indeed increased in the presence of scattering particles. However, this is of limited significance when the particles are UV-absorbers themselves.</p>","PeriodicalId":98,"journal":{"name":"Photochemical & Photobiological Sciences","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141453783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Drop impact on wet granular beds: effects of water-content on cratering.","authors":"Wei Zhang, Hiroaki Katsuragi, Ken Yamamoto","doi":"10.1039/d4sm00386a","DOIUrl":"https://doi.org/10.1039/d4sm00386a","url":null,"abstract":"<p><p>Drop impact events on a wet granular bed show a rich variety by changing the substrate composition. We observe the drop impact onto dry/wet granular substrates with different grain sizes (50-400 μm) and water contents (0-22 vol%). Despite the fixed impactor conditions (impact velocity: 4.0 m s^-1, water drop radius: 1.8 mm), the experiment reveals that the post-impact behaviors of both the impactor and target are strongly influenced by the substrate composition. We categorize these behaviors into several phases concerning liquid splashing and crater shapes left after the event. As these phases are relevant to each other, we measure the mechanical characteristics of the substrates and find that the onset of splashing and particle ejection is explained <i>via</i> the fracture of the substrate. Furthermore, we discuss several timescales of the event to understand the phase separations in more detail. Consequently, we find that the splashing phase and the crater shape are determined by competition among the timescales of impact, penetration, and contact.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141453788","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Force decomposition and toughness estimation from puncture experiments in soft solids.","authors":"Pranav Shrestha, Curtis Geffner, Matthew Jaffey, Zhongnan Wu, Martina Iapichino, Mattia Bacca, Boris Stoeber","doi":"10.1039/d4sm00211c","DOIUrl":"https://doi.org/10.1039/d4sm00211c","url":null,"abstract":"<p><p>Several medical applications, like drug delivery and biosensing, are critically preceded by the insertion of needles and microneedles into biological tissue. However, the mechanical process of needle insertions, especially at high velocities, is currently not fully understood. Here, we explore the insertion of hollow needles into transparent silicone samples with an insertion velocity <i>v</i> ranging from 0.1 mm s^-1 to 2.3 m s^-1 (with needle radius <i>R</i> = 101.5 μm, thus strain rates ∼<i>v</i>/<i>R</i> ranging from 1 s^-1 to 2.3 × 10⁴ s^-1). We use a double-insertion method, where the needle is inserted and re-inserted at the same location, to estimate the fracture properties of the material. The deflection of the specimen's free surface is found to be different between insertion and re-insertion experiments for identical needle positions, which is associated with different force magnitudes between insertion/reinsertion. This aspect was previously neglected in the original double-insertion method, thus here we develop a method based on imaging, image analyses and force measurements to decompose the measured force into individual force components, including deflection force <i>F</i>_d, frictional and spreading force <i>F</i>_f + <i>F</i>_s, and cutting force <i>F</i>_t. We estimate that the toughness <i>Γ</i> of our silicone samples, calculated using the cutting force <i>F</i>_t and the crack dimensions, increases with needle velocity, and ranges within observed values in previous literature for the same material and for some soft biological materials. In addition to toughness <i>Γ</i>, other parameters, such as critical force <i>F</i>_c and mechanical work <i>W</i>_c, also show strain-rate dependence, suggesting tissue stiffening, due to accumulated strain energy, at high speeds.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141453790","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quantitative and equipment-free paper-based agglutination assay of bacterial cells","authors":"Mohammad Al-Tamimi, Shahed Altarawneh, Minas A. Mustafa, Mariam El-sallaq and Penelope Shihab","doi":"10.1039/D4RA03001J","DOIUrl":"https://doi.org/10.1039/D4RA03001J","url":null,"abstract":"<p > <em>Background</em>: point-of-care (POC) tests are useful for bedside/home applications, emergencies, frequent follow-ups, and resource-limited areas. Limited quantitative and equipment-free POC assays have been reported. This study aims to develop, validate, and apply a simple, quantitative, paper-based POC assay. <em>Methods</em>: wax-channeled paper treated with specific anti-<em>Brucella</em> and anti-<em>Salmonella</em> antibodies was used for distance-based chromatographic elution of stained bacterial cell agglutinations. <em>Results</em>: a qualitative paper-based agglutination POC test was developed using color intensity, tail appearance, and “+/−” signs that clearly distinguish the positive and negative results. The optimization of the test for paper type, microfluidic channel design, antibody and bacterial cell concentrations, and elution methods was carried out. Quantitative assay transformation was successfully developed using the color intensity of the original reaction zone, intensity of elution tail, and distance-based migration that correspond to bacterial agglutination size. The migration distance of eluted bacterial agglutination bands corresponds to the target concentration with good linearity and minimal variability. Reporting of colored band migration with numbers using microfluidic patterns was used to enhance non-technical end-user applications. A distance-based POC assay prototype was then successfully used for the accurate detection of known and unknown samples in comparison with standard assays. <em>Conclusions</em>: the migration distance of an eluted stained bacterial agglutination correlated with anti-bacterial antibody concentrations. A simple, cheap, quantitative, and equipment-free paper-based POC assay of bacterial cell agglutination was developed. This test can be used for simple “+/−” results, thermometer-like quantification, or text reporting with numbers corresponding to target concentrations. The assay has extended applications to different human disease biomarkers.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":null,"pages":null},"PeriodicalIF":3.9,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra03001j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141453531","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Atomic force microscopy analysis of Pel polysaccharide- and type IV pili-mediated adhesion of <i>Pseudomonas aeruginosa</i> PA14 to an abiotic surface.","authors":"Audrey Beaussart, Telmo O Paiva, Christopher J Geiger, Amy E Baker, George A O'Toole, Yves F Dufrêne","doi":"10.1039/d4nr01415d","DOIUrl":"10.1039/d4nr01415d","url":null,"abstract":"<p><p>Type IV pili (TFP) contribute to the ability of microbes such as <i>Pseudomonas aeruginosa</i> to engage with and move across surfaces. We reported previously that <i>P. aeruginosa</i> TFP generate retractive forces of ∼30 pN and provided indirect evidence that TFP-mediated surface attachment was enhanced in the presence of the Pel polysaccharide. Here, we use different mutants defective in flagellar, Pel production or TFP production - alone or in combination - to decipher the relative contribution of these biofilm-promoting factors for <i>P. aeruginosa</i> adhesion. By means of atomic force microscopy (AFM), we show that mutating the flagellum (Δ<i>flgK</i> mutant) results in an increase in Pel polysaccharide production, but this increase in Pel does not result in an increase in surface adhesive properties compared to those previously described for the WT strain. By blocking Pel production in the Δ<i>flgK</i> mutant (Δ<i>flgK</i>Δ<i>pel</i>), we directly show that TFP play a major role in the adhesion of the bacteria to hydrophobic AFM tips, but that the adhesion force is only slightly impaired by the absence of Pel. Inversely, performing single-cell force spectroscopy measurements with the mutant lacking TFP (Δ<i>flgK</i>Δ<i>pilA</i>) reveals that the Pel can modulate the attachment of the bacteria to a hydrophobic substrate in a time-dependent manner. Finally, little adhesion was detected for the Δ<i>flgK</i>Δ<i>pilA</i>Δ<i>pelA</i> triple mutant, suggesting that both TFP and Pel polysaccharide make a substantial contribution to bacteria-substratum interaction events. Altogether, our data allow us to decipher the relative contribution of Pel and TFP in the early attachment by <i>P. aeruginosa</i>.</p>","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":null,"pages":null},"PeriodicalIF":5.8,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141236386","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Lower plasma linoleic acids as a risk factor for gout: an integrated analysis of population-based cohort and genetic data.","authors":"Hao-Wei Tao, Zhong-Yue Liu, Wei Jiang, Meng-Yuan Miao, Jie-Qiong Lyu, Miao Zhao, Jie Zhu, Jin-Si Chen, Hong-Zhen Du, Zeng-Ning Li, Zhengbao Zhu, Jing Yang, Li-Qiang Qin, Wei Chen, Guo-Chong Chen","doi":"10.1039/d4fo00987h","DOIUrl":"https://doi.org/10.1039/d4fo00987h","url":null,"abstract":"<p><p><i>Background</i>: Gout is a nutrition-related, highly prevalent inflammatory arthritis with undesirable effects on the quality of life. The relationships between circulating fatty acids (FAs) and gout remain poorly understood. <i>Method</i>: We included 268 174 participants with plasma FAs measured using nuclear magnetic resonance at the baseline (2006-2010) from the UK Biobank, of which 15 194 participants had repeated measures of FAs between 2012 and 2013. Cox proportional hazards models were used to assess the association of the baseline and longitudinal changes in relative levels of plasma FAs (<i>%</i> total FAs) with incident gout. Mendelian randomization (MR) analyses were conducted to assess the potential causality of the examined association. <i>Results</i>: Over a median follow-up of 12.8 years, 5160 incident cases of gout occurred. Baseline polyunsaturated fatty acids (PUFAs), n-6 PUFAs, and linoleic acids (LAs) were inversely associated with incident gout (all <i>P</i>-trend values < 0.0001). Baseline monounsaturated fatty acids (MUFAs), n-3 PUFAs, and docosahexaenoic acids (DHAs) were positively associated with incident gout (all <i>P</i>-trend values < 0.0001). Longitudinal increments of n-6 PUFAs and LAs were associated with a lower risk of subsequent gout, whereas an increment of n-3 PUFAs was associated with a higher risk. In two-sample MR analyses, genetically determined higher levels of PUFAs, n-6 PUFAs, and LAs were associated with a decreased risk of gout (all <i>P</i> values < 0.05). <i>Conclusions</i>: Our findings consistently indicate a causal relationship of elevated levels of n-6 PUFAs, especially LAs, with a reduced risk of gout.</p>","PeriodicalId":77,"journal":{"name":"Food & Function","volume":null,"pages":null},"PeriodicalIF":5.1,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141453772","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}