bluuebunny/crossref_metadata_2025_split huggingface dataset:
In‐silico investigations of dynamic mechanical behavior of Bombyx mori silk fibroin nanostructure under cyclic deformations and associated molecular mechanisms
Authors: Patel Mrinal , Singh Satinder Paul , Dubey Devendra K. 
Published: July 2022

AbstractBombyx mori silk fibroin (SF) is a prospective biomaterial for application in tissue engineering. As biomaterial for functional tissue such as bone and cartilage, the tissue grafts undergo cyclic loading similar to native tissues. An important factor in designing the SF based tissue grafts is understanding the dynamic mechanical behavior and underlying molecular mechanisms in B. mori SF at various length scales, which in turn requires an understanding of the nanoscale mechanics of B. mori SF. Dynamic mechanical behavior of B. mori SF nanostructure under varying hydration conditions has been investigated in the present study. For this purpose, molecular dynamics simulations for stress relaxation tests and strain‐controlled cyclic deformations for three separate strain amplitudes are performed for B. mori SF atomistic models. Results show that B. mori SF exhibits viscoelastic behavior. Analysis of obtained hysteresis loops (shape, size, area and inelastic strain values) shows an increase in viscous behavior of B. mori SF nanostructure with increase in hydration levels and strain amplitude levels, along with a mostly recoverable deformation with little effect of strain history. The analysis also shows that non‐bonded interaction and bond angle energies have a dominating role in governing the viscoelastic behavior of B. mori SF.
Bibliometric and Scientometric analysis on CSR practices in the banking sector
Authors: Hassan M. Kabir , Rabbani Mustafa Raza , Brodmann Jennifer , Bashar Abu , Grewal Himani 
Published: July 2022

AbstractThis paper provides a bibliometric and Scientometric analysis of the corporate social responsibility (CSR) in banking sector. Our study analyzes 551 articles from the Scopus database to find out the relationship between CSR and banking. A bibliometric method was used to visualize the results using R‐studio and VOS viewer software. The Scientometric analysis was conducted to determine the findings and mappings of the research themes, directions of current and future research, impact, co‐occurrence, co‐citations and impact and collaboration trends. We explore how CSR literature has evolved over the years in the banking sector between 1993 and 2021. We find that publication in the CSR and banking domain has increased significantly during 2017 and 2021. Social aspects, board of directors, CSR, environment, competitions, Islamic banking, sustainability, disclosure, ethics, legitimacy theory, sustainable banking, loyalty, and brand equity are the popular research trends and collaboration trends identified. We also provide further scope of the study based on the extensive review of the past literature. Our findings may provide help to future researchers, bankers, and regulators in understanding the current trends and future research progression in the CSR and banking sector.
Voter models on subcritical scale‐free random graphs
Authors: Fernley John , Ortgiese Marcel 
Published: July 2022

AbstractThe voter model is a classical interacting particle system modelling how consensus is formed across a network. We analyze the time to consensus for the voter model when the underlying graph is a subcritical scale‐free random graph. Moreover, we generalize the model to include a “temperature” parameter controlling how the graph influences the speed of opinion change. The interplay between the temperature and the structure of the random graph leads to a very rich phase diagram, where in the different phases different parts of the underlying geometry dominate the time to consensus. Finally, we also consider a discursive voter model, where voters discuss their opinions with their neighbors. Our proofs rely on the well‐known duality to coalescing random walks and a detailed understanding of the structure of the random graphs.
Birnessite films are sensitive indicators of microbial manganese reduction in soil
Authors: Hino Katelyn C. , Romero Jasper , Loffredo Joseph L. , Stolt Mark , Amador Jose , Moseman‐Valtierra Serena , Wigand Cathleen , Pellock Brett J. 
Published: July 2022

AbstractManganese (Mn) and Fe indicator of reduction in soils (IRIS) devices are low‐cost, convenient tools for identifying reducing conditions in soils. Because Mn is reduced at similar redox potentials as nitrate, there is considerable interest in using Mn IRIS tools for understanding microbial reduction of Mn as a surrogate for processes such as denitrification. However, the sensitivity of these devices to differences in Mn‐reducing capacity has not been empirically investigated. Here we have found that the rate of birnessite paint removal from Mn IRIS films exposed to a twofold dilution series of the Mn‐reducing bacterium Shewanella oneidensis is directly proportional to the number of S. oneidensis cells added. Thus, regularly monitored birnessite IRIS sensors are capable of indicating twofold differences in Mn reduction in soil and can be used to measure relative Mn reduction rates over time in a single location or compare and contrast Mn reduction rates across soil types.
One‐Pot Synthesis of Size‐Controlled Poly(cyclotriphosphazene‐co‐hesperetin) Microspheres and Their Properties as Drug Delivery Carriers
Authors: Mehmood Sahid , Uddin Md Alim , Yu Haojie , Wang Li , Amin Bilal Ul , Haq Fazal , Fahad Shah , Haroon Muhammad 
Published: July 2022

AbstractIn this study, cross‐linked poly(cyclotriphosphazene‐co‐hesperetin) (PCTPHP) microspheres were synthesized by the reaction of hexachlorocyclotriphosphazene (HCCP) with hesperetin (HSP). Fourier transform infrared (FT‐IR) spectroscopy was used to confirm the successful preparation of the PCTPHP microspheres. The cross‐linking density of the prepared PCTPHP microspheres was examined by electron paramagnetic resonance (EPR) spectroscopy. The results showed that the increased HSP mole might be more suitable to cross‐link with HCCP in high density. The thermal properties, particle size distribution, morphology and crystalline nature of PCTPHP microspheres were investigated by thermogravimetric analysis (TGA), dynamic light scattering (DLS), scanning electron microscope (SEM) and X‐ray diffraction (XRD). The prepared PCTPHP‐3 microspheres were used as drug carriers. The 5‐fluorouracil (5‐FU) was loaded on the microspheres and their in vitro release behavior was observed at two different pH values. The results showed a controlled release of 5‐FU from the PCTPHP‐3/5‐FU in both basic and acidic mediums up to 216 h. The results showed that the PCTPHP microspheres might play a vital role as drug carriers in cancer therapy.
Size‐Dependence of Pt‐Based Catalysts for Ethane Catalytic Combustion
Authors: Fu Qijun , Wang Sheng , Wang Ting , Yue Xu , Bai Yuting , Li Pengpeng , Wang Mingzhe , Wang Shudong 
Published: July 2022

AbstractPt/Ce0.5Zr0.5O2 (Pt/CZ11) was synthesized with different Pt size from 1.80 to 2.89 nm. Meanwhile, Pt/γ‐Al2O3 (Pt/Al2O3) with same Pt loading was prepared, and its dimension varied from 1.45 to 1.76 nm. Ethane complete oxidation was investigated over as‐synthesized catalysts. Different size‐dependence was illustrated over Pt/CZ11 and Pt/Al2O3. There was a volcanic relationship between Pt size and catalytic activity for Pt/CZ11, while the catalytic activity increased linearly as the dimension of Pt decreased for Pt/Al2O3. In combination with H2‐TPR, O2‐TPD, XPS, and Raman results, it was revealed that various size‐dependence was associated strongly with the amount of oxygen species and Pt dispersion. For inert support Al2O3, Pt dispersion was dominant. Whereas the activity on Pt/CZ11 was dependent on the synergistic effect between oxygen vacancy and active sites. Pt/CZ11‐2.70 exhibited the most superior ethane combustion activity due to moderate Pt dispersion and abundant oxygen vacancy.
Development of Potent ERα Inhibitors: Effectively Inhibit the Growth of Breast Cancer Cells
Authors: Yao Weiwei , Wang Peirong , Yang Huihui , Pu Xiaohui , Yang Jinfei 
Published: July 2022

AbstractBreast cancer is the highest incidence among female cancers in the world, but the approved clinical drugs have strong side effects, and some even have carcinogenic effects. Lonidamine has attracted much attention due to its stronger inhibitory effect and smaller side effects for breast cancer, but its low bioavailability limits its clinical application. To overcome this challenge, we hope to further enhance its effect of inhibiting cancer cell proliferation and increase its bioavailability by modifying the structure of lonidamine. After continuous efforts, we designed and synthesized two drug molecules 18a (YRL‐01) and 18b (YRL‐02) with higher inhibitory activity than lonidamine based on the structure‐based drug design strategy, with IC50 values of 45 μM and 53 μM, respectively. Subsequent molecular docking experiments showed that these two molecules should act by targeting the estrogen receptoralpha (ERα). We believe that the research results will provide meaningful guidance for the design and development of innovative drugs against breast cancer in the future.
Synthesis and Properties of High‐Refractive‐Index Iodine‐Containing Polyacrylates
Authors: Maekawa Hiroyuki , Amano Hikaru , Nishina Ikuko , Kudo Hiroto 
Published: July 2022

AbstractWe examined the radical polymerization of 2,4,6‐triiodophenyl acrylate (TIPA), the chain‐transfer radical polymerization of TIPA in the presence of 4,4‐thiobisbenzenethiol (TBBT) or 4‐mercaptopyridine (MP), and the radical copolymerization of TIPA with 2‐hydroxyethyl acrylate (HEA) or 2‐(2‐ethoxyethoxy) ethyl acrylate (EEA), using AIBN as an initiator at 60 °C for 20 h. These reactions afforded poly(TIPA), TBBT‐poly(TIPA)m, MP‐poly(TIPA)m poly(TIPAm‐co‐HEAn) and poly(TIPAm‐co‐EEAn), respectively, with Mn values in the range of 3,180 to 46,550, in satisfactory yields. MP‐poly(TIPA)41 (Mn=6,880), poly(TIPA88‐co‐HEA12) (Mn=11,300), and poly(TIPA85‐co‐EEA15) (Mn=19,200) showed film‐forming ability, although poly(TIPA) and TBBT‐poly(TIPA)m did not. Among them, poly(TIPA85‐co‐EEA15) showed high values of refractive index (n) and Abbe number (ν), i. e., n=1.850 and ν=20.7.
Detection of the Fungicide Dodine by means of Host‐Guest Complexation between Cucubit[10]uril and Acridine Orange
Authors: Wang Cheng‐hui , Zou Hong‐qian , Cong Hang , Huang Ying , Tao Zhu , Redshaw Carl , Xiao Xin 
Published: July 2022

AbstractThe interaction between acridine orange (AO) and cucurbit[10]uril, Q[10] affords the ternary complex 2AO@Q[10]. Subsequent addition of dodine (DD) displaces AO from the Q[10] cavity, and results in a fluorescent output. The effect of 20 different pesticides, as well as a number of common interferents, on the fluorescent output is presented. Results revealed that the system is capable of the selective recognition of DD, with a limit of detection (LOD) for DD of 1.12×10−7 M.
Synthesis of (p‐tolyl)‐3(2H)pyridazinone Derivatives as Novel Acetylcholinesterase Inhibitors
Authors: Merde İrem Bozbey , Önel Gülce Taşkor , Türkmenoğlu Burçin , Gürsoy Şule , Dilek Esra , Özçelik Azime Berna , Uysal Mehtap 
Published: July 2022

AbstractIn this study, a series of N‐substituted‐(p‐tolyl)pyridazin‐3(2H)‐one derivatives were synthesized and evaluated for their AChE inhibitory activity. The chemical structures of novel compounds 5(a–m) were confirmed by 1H‐NMR, 13C‐NMR, IR and HRMS analysis. In order to eliminate the symptomatic effects of Alzheimer's disease, the proposed compounds were evaluated by acetylcholinesterase inhibition activity study in accordance with the cholinergic hypothesis. The results revealed that the N‐substituted‐(p‐tolyl)pyridazin‐3(2H)‐one derivatives inhibited the enzymes significantly. Ki values for acetylcholinesterase in the range of 0.56±0.15–4.12±1.42 μM. Compound 5 h demonstrated the greatest in AChE activity compared with tacrine (0.56±0.15 μM). Molecular docking studies were performed for all compounds that compared tacrine in AChE activity in‐vitro. As a result of molecular docking studies (ΔGBind, docking score, XP Gscore, Glide energy, Glide emodel), 5 f, 5 g and 5 h compounds showed good inhibitory properties in the AChE active site as in silico.
X‐Ray Shielding Performance and Characterization of Electrospun PVC/Bismuth(III) Oxide Nanocomposites
Authors: Hale Aygün Hayriye , Hakkı Alma Mehmet 
Published: July 2022

AbstractTo develop an alternative surface to lead‐based shieldings, we synthesized bismuth(III) oxide‐free and bismuth(III) oxide‐loaded poly(vinyl) chloride solutions via electrospinning process. Nanocomposite surfaces were characterized by scanning electron microscopy, differential scanning calorimetry, thermogravimetric analysis and fourier transform infrared spectroscopy. Thickness and electrical conductivity of different samples were measured and linear attenuation coefficients, half‐value length, tenth‐value length, mean‐free path and shielding performance were calculated with corresponding formula. The attenuation behaviors of samples were plotted by X‐COM software. According to results of instrumental analysis, micro‐particulated bismuth(III) oxide powder was adapted into nanofibrous structures and bismuth(III) oxide loading lead to development on thermal behaviors. Besides, bismuth(III) oxide‐loaded poly(vinyl) chloride samples showed limited electrical conductivity and improved X‐ray radiation attenuation. Increasing weight percentage of bismuth(III) oxide caused a decrease on half‐value length, tenth‐value length and mean‐free path values. It was concluded that studied samples should be used as multi‐layer form for achieving desired radiation dose reduction. By increasing w% of bismuth(III) oxide powder, more effective surfaces for radiation shielding can be manufactured.
Sustainable Synthesis of Aryl and Heteroaryl Aldehydes
Authors: Paganelli Stefano , Tassini Riccardo , Piccolo Oreste 
Published: July 2022

AbstractAromatic aldehydes are important intermediates for the synthesis of valuable fine and specialty chemicals and many procedures for their preparation have been developed but, nowadays, most of these synthetic methods require large amounts of reagents and multiple steps, with production of wastes. In this paper, we focused on the synthesis of some (hetero)aromatic aldehydes, used either as industrial flavor/fragrances of commercial interest, such as Heliotropine®, or as key intermediates for the preparation of some APIs and of other fragrances such as Lioral® and Helional®, by reductive carbonylation of halo derivative precursors. In order to carry out an easier and more applicable process, hydrogen donors, instead of gaseous flammable and explosive hydrogen, and recyclable phosphine free low metal content catalysts, were employed.
Nanozyme‐Based Artificial Organelles: An Emerging Direction for Artificial Organelles
Authors: Zhang Shuai , Zhang Ruofei , Yan Xiyun , Fan Kelong 
Published: July 2022

AbstractArtificial organelles are compartmentalized nanoreactors, in which enzymes or enzyme‐mimic catalysts exhibit cascade catalytic activities to mimic the functions of natural organelles. Importantly, research on artificial organelles paves the way for the bottom‐up design of synthetic cells. Due to the separation effect of microcompartments, the catalytic reactions of enzymes are performed without the influence of the surrounding medium. The current techniques for synthesizing artificial organelles rely on the strategies of encapsulating enzymes into vesicle‐structured materials or reconstituting enzymes onto the microcompartment materials. However, there are still some problems including limited functions, unregulated activities, and difficulty in targeting delivery that hamper the applications of artificial organelles. The emergence of nanozymes (nanomaterials with enzyme‐like activities) provides novel ideas for the fabrication of artificial organelles. Compared with natural enzymes, nanozymes are featured with multiple enzymatic activities, higher stability, easier to synthesize, lower cost, and excellent recyclability. Herein, the most recent advances in nanozyme‐based artificial organelles are summarized. Moreover, the benefits of compartmental structures for the applications of nanozymes, as well as the functional requirements of microcompartment materials are also introduced. Finally, the potential applications of nanozyme‐based artificial organelles in biomedicine and the related challenges are discussed.
A DNA‐Micropatterned Surface for Propagating Biomolecular Signals by Positional on‐off Assembly of Catalytic Nanocompartments
Authors: Maffeis Viviana , Hürlimann Dimitri , Krywko‐Cendrowska Agata , Schoenenberger Cora‐Ann , Housecroft Catherine E. , Palivan Cornelia G. 
Published: July 2022

AbstractSignal transduction is pivotal for the transfer of information between and within living cells. The composition and spatial organization of specified compartments are key to propagating soluble signals. Here, a high‐throughput platform mimicking multistep signal transduction which is based on a geometrically defined array of immobilized catalytic nanocompartments (CNCs) that consist of distinct polymeric nanoassemblies encapsulating enzymes and DNA or enzymes alone is presented. The dual role of single entities or tandem CNCs in providing confined but communicating spaces for complex metabolic reactions and in protecting encapsulated compounds from denaturation is explored. To support a controlled spatial organization of CNCs, CNCs are patterned by means of DNA hybridization to a microprinted glass surface. Specifically, CNC‐functionalized DNA microarrays are produced where individual reaction compartments are kept in close proximity by a distinct geometrical arrangement to promote effective communication. Besides a remarkable versatility and robustness, the most prominent feature of this platform is the reversibility of DNA‐mediated CNC‐anchoring which renders it reusable. Micropatterns of polymer‐based nanocompartment assemblies offer an ideal scaffold for the development of the next generation responsive and communicative soft‐matter analytical devices for applications in catalysis and medicine.
Synergistic Incorporating RuO2 and NiFeOOH Layers onto Ni3S2 Nanoflakes with Modulated Electron Structure for Efficient Water Splitting
Authors: Zhang Hongmei , Chen Chu , Wu Xueyan , Lv Changwu , Lv Yan , Guo Jixi , Jia Dianzeng 
Published: July 2022

AbstractSynergistic electronic modulations is an effective strategy to develop efficient and stable electrocatalysts for the electrochemical hydrogen production via water splitting. Herein, tremella‐like Ni3S2@RuO2 and Ni3S2@NiFeOOH heterostructures catalysts are constructed on Ni foams (NF) by coupling RuO2 and NiFeOOH on Ni3S2 nanoflake arrays. The resulting Ni3S2@RuO2/NF electrode exhibits top‐level hydrogen evolution reaction electrocatalysis with an extremely low overpotential of 12 mV at 10 mA cm−2 and a Tafel slope of 30.7 mV dec−1, as well as the as‐obtained Ni3S2@NiFeOOH/NF electrode with tunable binding energy for OH* intermediates shows remarkable oxygen evolution reaction electrocatalysis with an overpotential of 227 mV at 10 mA cm−2. The electrolyzer employing Ni3S2@RuO2/NF electrode for cathodic H2 production and Ni3S2@NiFeOOH/NF for anodic O2 production merely needs a low voltage of 1.47 V to drive 10 mA cm−2 with excellent durability. The combined theoretical calculation and X‐ray photoelectron spectroscopy investigation reveal that heterogeneous configuration can induce electron transfer from Ni3S2 to RuO2 through NiRu/SRu bonds, and thus tailor the d‐band center and optimize the activated H2O/H* Gibbs free energies for enhanced hydrogen evolution reaction on Ni3S2@RuO2. This study may shed new light on the construction of heterostructures as highest‐performing electrocatalysts and offer unique insight into the theory mechanism.
Synthesis of Patchy Nanoparticles with Symmetry Resembling Polar Small Molecules
Authors: Zhang Yan , Dong Wenhao , Wang Yazi , Wu Qi , Yi Chenglin , Yang Yiqun , Xu Yifei , Nie Zhihong 
Published: July 2022

AbstractPatchy nanoparticles (NPs) show many important applications, especially for constructing structurally complex colloidal materials, but existing synthetic strategies generate patchy NPs with limited types of symmetry. This article describes a versatile copolymer ligand‐based strategy for the scalable synthesis of uniform Au‐(SiO2)x patchy NPs (x is the patch number and 1 ≤ x ≤ 5) with unusual symmetry at high yield. The hydrolysis and condensation of tetraethyl orthosilicate on block‐random copolymer ligands induces the segregation of copolymers on gold NPs (AuNPs) and hence governs the structure and distribution of silica patches formed on the AuNPs. The resulting patchy NPs possess unique configurations where the silica patches are symmetrically arranged at one side of the core NP, resembling the geometry of polar small molecules. The number, size, and morphology of silica patches, as well as the spacing between the patches and the AuNP can be precisely tuned by tailoring copolymer architectures, grafting density of copolymers, and the size of AuNPs. Furthermore, it is demonstrated that the Au‐(SiO2)x patchy NPs can assemble into more complex superstructures through directional interaction between the exposed Au surfaces. This work offers new opportunities of designing next‐generation complex patchy NPs for applications in such as biomedicines, self‐assembly, and catalysis.
Role of Bin‐Amphiphysin‐Rvs (BAR) domain proteins in mediating neuronal signaling and disease
Authors: Mallik Bhagaban , Bhat Sajad , Kumar Vimlesh 
Published: July 2022

AbstractSeveral proteins contain signaling domains that can regulate the cell membrane dynamics as well as the underlying cytoskeleton. Among these, Bin‐Amphiphysin‐Rvs (BAR) domain‐containing proteins, with their membrane deforming properties, have emerged as the key players in regulating neuronal morphology and inducing neuronal signaling that can modulate synaptic architecture. While the biochemical and structural basis of membrane deformation by the BAR‐domain proteins has been extensively studied, the in vivo contexts in which these proteins function remain to be elucidated. Despite the discovery of BAR‐domain proteins over 25 years ago, most of the studies have primarily focused on understanding the structural and biochemical properties and cell biological processes regulated by these proteins. Understanding the functional requirements of these proteins at the level of multicellular organisms and the way these proteins regulate biological processes remains a topic of intensive study. In this review, we discuss the functional roles of BAR‐domain proteins in the context of membrane dynamics and cellular signaling. We highlight recent developments describing the functional role of these proteins in neuronal morphogenesis, synaptic function, and disease.