bluuebunny/crossref_metadata_2025_split huggingface dataset:
Novel poly(ester amide) derived from tyrosine amino acid for targeted pulmonary drug delivery of fluticasone propionate
Authors: AbdulKarim Hussien , Ali Dalia K. , Taybeh Esra' , Alyami Hamad S. , Assaf Shereen M. , Dahmash Eman Zmaily 
Published: February 2023

AbstractNanoaggregates made from amino acid‐based polymers have been an important platform for targeted drug delivery systems such as the lungs. Therefore, the aim of the present study is to develop tyrosine‐based poly(ester amide)s (Tyr‐PEA) for dry powder inhaler (DPI) of a potent drug (fluticasone propionate [FP]) using interfacial polymerization. The molecular and surface profiling characteristics were evaluated using Fourier‐transformed infrared spectroscopy, X‐ray diffraction, transmission electron microscopy, particle size analysis, nuclear magnetic resonance, differential scanning calorimetry, and scanning electron micrographs. The aerodynamic performance was evaluated using the NGI. The results confirmed the formation of the PEA and FP‐loaded Tyr‐PEA with an average particle size of, 45.39 ± 6.32 nm. The produced FP/Tyr‐PEA showed entrapment efficiency and encapsulation capacity of FP of 92.32% and 0.526% respectively, which enabled the delivery of this potent drug in a reasonable dose. The in‐vitro performance of the FP‐loaded PEA was compared to a marketed product and results revealed a significant enhancement of the emitted dose (87.29% vs. 59% respectively [t‐test, p < 0.05]). FP‐loaded Tyr‐PEA produced a higher respirable dose when compared to the marketed FP DPI (48.63 μg vs. 34.15 μg). Overall, FP‐loaded Tyr‐PEA was successfully prepared with optimal performance. Tyr‐PEA‐based nanoparticles provide a potential platform for targeted drug delivery, particularly potent actives.
Employing Topological Properties of Phase Singularities for Designing Supercavity Systems with Tailored Excitation
Authors: Manzoor Zahra , Mkhitaryan Vahagn , Sinanis Michael D. , Yesilyurt Omer , Peroulis Dimitrios , Kildishev Alexander V. 
Published: February 2023

AbstractTrapping electromagnetic waves in high‐index resonators with extreme quality factors (Q‐factor) can be achieved by exciting supercavity (quasi‐bound states in the continuum, quasi‐BIC) modes with minimal radiation loss. Conventionally, the quasi‐BICs are achieved by tuning the resonator dimensions to promote destructive interference between two modes in the cavity. In this work, an enhanced Q‐factor is achieved by manipulating the structure of a near‐field excitation source and tailoring the excitation strength of individual multipolar modes. A pair of concentric rings with strong mutual coupling is used in contrast to a simple single‐ring case. We show that adding the second passive ring enables additional degrees of freedom to manipulate the multipolar content exited in the cavity. The multipole decomposition of the cavity modes is performed using full‐wave numerical simulations to support these claims. Experimental validation with a double‐ring fed supercavity demonstrates the highest measured Q‐factor of ≈310 or ≈2× the quality factor of a design without supercavity, which is consistent with a numerical model predicting up to 3× enhanced Q‐factor. We show that, analyses of polarization singularities and multipolar decomposition can be used to understand, characterize, and design such systems, employing their topological properties not broadly explored before.
Stabilization of Black FAPbI3 Perovskite by Interaction with the Surface of the Polymorphic Phase α‐PbO
Authors: Echeverría‐Arrondo Carlos , Salim Kunnummal Mangott Muhammed , Masi Sofia , Mora‐Seró Iván 
Published: February 2023

AbstractThe black phase of formamidinium lead iodide, FAPbI3, is optically active and promising for optoelectronics applications. However, it is difficult to synthesize and stabilize at room temperature since it thermodynamically tends toward the photoinactive yellow phase. Based on density functional theory computations, the potential of PbO semiconductor substrates to stabilize the black phase of FAPbI3 perovskite is investigated and shown that, interestingly, it can be effectively stabilized over the yellow phase at room temperature when deposited on the polymorphic phase α‐PbO.
A pragmatic trial evaluating the effectiveness of web versus live training in functional behavior assessment and interventions among special educators
Authors: Dutt Anuradha , Cheng Alison , Ang Bee Tze , Nair Rahul 
Published: February 2023

AbstractThis study adopted a pragmatic trial with randomization to investigate the relative effectiveness of web versus live training on special educators' competence and perceived skills in functional behavior assessments (FBA) and behavior interventions. Pragmatic trials seek to determine the effectiveness of an intervention in a real‐world setting to ensure better application and generalizability in routine practice conditions. The live training group received an in‐person workshop delivered in a lecture format via powerpoint slides. The web training group received asynchronous online instruction via a secure website. The same training content was delivered to both groups. Participants were randomly assigned across both instructional modalities and completed two pre‐ and post‐test measures. Results indicated that participants (N = 104) in both groups showed a significant increase in theoretical competence of FBA and behavior interventions post training. Only participants in the live workshop group reported a significant increase in perceived skill scores. When comparing outcomes across groups, the live training group gained significantly more theoretical competence in FBA and behavior interventions than that in the web training group. These results shed light on the practical implications of online platforms for professional development among in‐service teachers in behavior management for schools with children having disabilities and challenging behavior.
Electrospinning of honey and propolis for wound care
Authors: Mele Elisa 
Published: February 2023

AbstractPhytochemicals and naturally derived compounds, such as plant extracts and bee products, are regarded as complementary and alternative medicines for the treatment of skin wounds, due to their antibacterial, anti‐inflammatory, and antioxidant properties. In recent years, it has been shown that dressings impregnated with honey (particularly Manuka honey) are effective for the topical treatment of wounds and burns, and some of them are currently used in clinics. This has stimulated the development of more advanced dressings based on polymeric nanofibres that can release honey and other bee products (like propolis) to promote wound healing. In this review, the current literature on the electrospinning of honey and propolis is analyzed and the effectiveness of the resulting dressings to inhibit bacterial growth and stimulate cellular proliferation and tissue repair is discussed.
Asymmetric Bio‐epoxidation of Unactivated Alkenes
Authors: Li Jiajing , Gu Wenjing , Wang Zhongqiang , Zhou Xiaojian , Chen Yongzheng 
Published: February 2023

AbstractOptically active epoxides play important roles in pharmaceutical, agricultural and fine chemical syntheses. There are many chiral medications with pharmacodynamic activity in nature that can be synthesized by chiral epoxides. In recent years, researchers have developed a variety of biocatalysts for the asymmetric epoxidation of alkenes, which use oxygen or hydrogen peroxide as eco‐friendly and low‐cost oxidants, to provide better chemo‐, regio‐ and stereoselectivity under moderate reaction conditions. In this paper, the advances, opportunities and challenges of the asymmetric epoxidation of unactive alkenes by biocatalyst are reviewed.
Whole‐Cell MALDI‐ToF MS Coupled with Untargeted Metabolomics Facilitates Investigations of Microbial Chemical Interactions
Authors: Aiosa Nicole , Sinha Anupama , Albataineh Hanan , Phillips Ashlee M. , Mageeney Catherine M. , Wilde Delaney S. , Williams Kelly P. , Collette Nicole M. , Branda Steven S. , Garg Neha 
Published: February 2023

AbstractThe emergence of drug‐resistant pathogens necessitates the development of new countermeasures. In this regard, the introduction of probiotics to directly attack or competitively exclude pathogens presents a useful strategy. Application of this approach requires an understanding of how a probiotic and its target pathogen interact. A key means of probiotic‐pathogen interaction involves the production of small molecules called natural products (NPs). Here, we report the use of whole‐cell matrix‐assisted laser desorption/ionization time‐of‐flight (MALDI‐ToF) mass spectrometry to characterize NP production by candidate probiotics (mouse airway microbiome isolates) when co‐cultured with the respiratory pathogen Burkholderia. We found that a Bacillus velezensis strain inhibits growth of and elicits NP production by Burkholderia thailandensis. Dereplication of known NPs detected in the metabolome of this B. velezensis strain suggests that a previously unannotated bioactive compound is involved. Thus, we present the use of whole‐cell MALDI as a broadly applicable method for screening the NP composition of microbial co‐cultures; this can be combined with other ‐omics methods to characterize probiotic‐pathogen and other microbe‐microbe interactions.
C‐kit‐negative transmural gastrointestinal stromal tumor in the stomach: A rare case of upper GI bleeding in Ghana
Authors: Mensah Samuel , Kyei Ishmael , Kokuro Collins , Afriyie Collins , Nortey Michael , Agyei Ernest 
Published: February 2023

AbstractUpper GI bleeding from GIST is rare in Africa. The C‐kit‐negative variant is uncommon worldwide. We report a case of a 42‐year‐old woman managed for upper GI bleeding secondary to stomach GIST, negative for CD117 but positive for DOG 1 and CD 34. The 1‐year postsurgery review is uneventful.
Chemical Speciation by Quick‐XAS and Raman Spectroscopy: Validation of Two Cells for in situ Time‐Resolved Monitoring of the Impregnation and Drying of CoMoP/Al2O3 Catalysts
Authors: Barata Beatriz , Legens Christèle , Devers Elodie , Delpoux Olivier , Barthe Laurent , Roudenko Olga , Briois Valérie 
Published: February 2023

AbstractThis paper aims to describe and validate two cells designed to monitor, by in situ quick‐EXAFS, the transformation of Mo based oxidic species occurring during maturation and drying preparation steps of a single hydrodesulfurization catalyst. These transformations occur firstly upon impregnation/maturation, due to the contact of the acidic impregnation solution with the basic alumina support, and furthermore upon drying. The Mo K edge in situ quick‐EXAFS monitoring of these two elementary preparation steps is hereby reported for the first time, providing quantitative results of the Mo‐speciation. Ex situ Raman spectroscopy is used effectively as a complement. It considers an impregnation solution with a Mo concentration of 0.75 M and molar ratios of P/Mo 0.56 and Co/Mo 0.4. A two‐step drying mechanism is proposed to explain the evolution of the Mo‐speciation during in situ drying where Strandberg's, Anderson's and Dawson's HPAs are transformed into lacunary Keggin's HPA, octa‐ and monomolybdates.
TiO2/CeO2 Frame with Enriched Oxygen Vacancies and Hetero‐Interfaces for Efficient Electrochemical N2 Reduction
Authors: Yan Baolin , Hu Shen , Bu Chunyan , Peng Yi'an , Han Huaize , Xu Xinghang , Liu Yihan , Yu Jianxiang , Dai Yuhua 
Published: February 2023

AbstractElectrochemical nitrogen reduction reaction (NRR) under ambient conditions offers an environmentally benign and sustainable alternative for NH3 synthesis. Exploring highly active and robust NRR electrocatalysts is one of the prerequisites for developing sustainable N2/NH3 cycle systems. In this work, a surface chemistry rich TiO2/CeO2 frame is developed for electrochemical NRR, which is composed of ultrathin TiO2 nanosheets supported with CeO2 nanoparticles. Its unique porous framework as well as formed plentiful oxygen vacancies (OVs) and hetero‐interfaces collectively facilitate the adsorption/activation of N2 and transfer of electrons and protons. The catalyst can attain a high NH3 yield rate of 8.8 μg h−1 mg−1cat. and a Faradaic efficiency of 6.8 % at −0.25 V versus reversible hydrogen electrode, comparable with other reported Ti‐based and OVs‐contained catalysts. Moreover, the TiO2/CeO2 can maintain high durability over repeated 20 cycles. Therefore, this work heralds a new paradigm of fabricating framework‐structured catalyst with enriched hetero‐interfaces and defects toward effective and sustainable NH3 synthesis.
A unified polymer reaction engineering methodology for catalytic olefin polymerization: From reaction conditions and catalyst reaction performance to molecular and rheological properties for forward, reverse engineering and deconvolution applications
Authors: Touloupidis Vasileios 
Published: February 2023

AbstractThis work presents a unified polymer reaction engineering methodology for the catalytic olefin polymerization process. The proposed modelling approach offers a modelling pathway from the polymerization recipe to production rate and polymer microstructure, and finally to rheological properties. Furthermore, this work introduces for the first time the constraint of the actual reaction performance of the polymerization catalyst in the inverse rheology and microstructural deconvolution problem, limiting the solution only to the most realistic potential molecular weight distributions (MWDs) that a specific catalyst can produce. This approach can be applied for both single‐ and multi‐site catalysts, providing not a potential MWD but the unique one that the selected catalyst can offer under given polymerization conditions. Depending on the available catalyst reaction performance insight, the constraint can vary and include from the number of active sites in use to the exact kinetic parameters of each site type. The potential of the proposed methodology is highlighted within a series of indicative examples, including forward, reverse engineering and deconvolution applications.
Thresholding DNA Nanomachine as a Highly Cooperative and Efficient Enzyme‐Like System for Controlled RNA Cleavage
Authors: Patra Christina , ElDeeb Ahmed A. 
Published: February 2023

AbstractTherapeutic nucleic acid agents (TNA) can be activated by a marker RNA sequence followed by initiation of targeted RNA cleavage. This property can be used in conditional cell suppression, e. g., cancer marker‐dependent cell death. However, healthy cells often express lower levels of cancer markers, thus jeopardizing TNA activation exclusively in cancer cells. Earlier, we developed a conditionally activated split deoxyribozyme construct (DNA thresholder or DTh) that can be activated by high but not by low concentrations of cancer markers. It's activity, however, was suppressed by very high marker concentrations. Herein, we combine the DTh functional units in a single DNA association (Thresholding DNA nanomachine or Th‐DNM). Th‐DNM maintains a high level of RNA cleavage activity in the presence of marker concentrations above the threshold level. Th‐DNM differentiated fully complementary miR17 markers sequence from double base mismatched miR‐20. Th‐DNM can become a building block of DNA nanorobots for cancer treatment.
Constructing Potential Energy Surface with Correlated Theory for Dipeptides Using Molecular Tailoring Approach
Authors: Khire Subodh S. , Gattadahalli Nandini , Gurav Nalini D. , Kumar Anmol , Gadre Shridhar R. 
Published: February 2023

AbstractWe demonstrate a cost‐effective alternative employing the fragment‐based molecular tailoring approach (MTA) for building the potential energy surface (PES) for two dipeptides viz. alanine‐alanine and alanine‐proline employing correlated theory, with augmented Dunning basis sets. About 1369 geometries are generated for each test dipeptide by systematically varying the dihedral angles
and
. These conformational geometries are partially optimized by relaxing all the other Z‐matrix parameters, fixing the values of
and
. The MP2 level PES is constructed from the MTA‐energies of chemically intact geometries using minimal hardware. The fidelity of MP2/aug‐cc‐pVDZ level PES is brought out by comparing it with its full calculation counterpart. Further, we bring out the power of the method by reporting the MTA‐based CCSD/aug‐cc‐pVDZ level PES for these two dipeptides containing 498 and 562 basis functions respectively.
Organic Cathode Materials for Rechargeable Aluminum‐Ion Batteries
Authors: Huang Zhen , Du Xianfeng , Ma Mingbo , Wang Shixin , Xie Yuehong , Meng Yi , You Wenzhi , Xiong Lilong 
Published: February 2023

AbstractOrganic electrode materials (OEMs) have shown enormous potential in ion batteries because of their varied structural components and adaptable construction. As a brand‐new energy‐storage device, rechargeable aluminum‐ion batteries (RAIBs) have also received a lot of attention due to their high safety and low cost. OEMs are expected to stand out among many traditional RAIB cathode materials. However, how to improve the electrochemical performance of OEMs in RAIBs on a laboratory scale is still challenging. This work reviews and discusses the uses of conductive polymers, carbonyl compounds, imine polymers, polycyclic aromatic hydrocarbons, organic frameworks, and other organic materials as the cathodes of RAIBs, as well as energy‐storage mechanisms and research progress. It is hoped that this Review can provide the design guidelines for organic cathode materials with high capacity and great stability used in aluminum‐organic batteries and develop more efficient organic energy storage cathodes.
New geographic record in eastern Amazon Forest and potential distribution ofAmphidecta calliomma(Lepidoptera: Nymphalidae)
Authors: Paracampo Amanda , Maia Ulysses Madureira , Gomes Vitor Hugo Freitas , de Sousa Miranda Leonardo , Giannini Tereza Cristina 
Published: February 2023

AbstractAmphidecta calliommais a butterfly species that occurs in Colombia, Bolivia, Peru, Venezuela, Ecuador, Panama, and Brazil (in the states of Mato Grosso, Mato Grosso do Sul, Rondônia, and Pará). Here, we present a new occurrence ofA. calliommain the Carajás National Forest (Pará, eastern Amazon), expanding the known distribution of the species. We also provide species distribution model comparing the contribution of the new occurrence to species area of occurrence projections, supporting future field research. The projections reveal an expansion of area of occurrence forA. calliommalocated mainly in the southeast portion of Amazon Forest. Despite its wide distribution, the small number of records ofA. calliommamay indicate that the species has a low detectability in surveys. This study provides support for new surveys and reduces the knowledge gap aboutA. calliomma, thus supporting its conservation.
Novel Metal Complexes Unit of Phenanthroline Derivative for Being Used as Auxiliary Electron Acceptor in Dye Sensitizer Molecules
Authors: Liu Huimin , Wang Kaixuan , Ma Yinfeng , Tian Yong , Zhang Houpeng , Wang Yu , Zhong Chaofan 
Published: February 2023

AbstractDonor‐acceptor‐π bridge‐acceptor (D−A−π−A) motif dyes are promising dye sensitizers in dye‐sensitized solar cells (DSSCs). In this study, to strengthen with‐drawing electron force of the auxiliary electron acceptors(A) in D−A−π−A motif dye sensitizers, the metal complexes unit is be used as auxiliary electron acceptor(A) instead of organic electron‐withdrawing monomer. The four polymeric metal complexes were designed, synthesized, and characterized, which used metal complexes of phenanthroline derivatives as auxiliary acceptors (A), benzodithiophene‐dithiophene derivatives (BDTT) as donors (D), and 8‐hydroxyquinoline derivatives as π‐bridges and acceptors of the dye sensitizers, and have been used for dye sensitizers. Under AM 1.5 G (100 mW cm−2), the photovoltaic test results indicated that the short‐circuit photocurrent density (Jsc) of the DSSCs based four polymeric metal complexes are 11.26, 13.68, 14.42 and 15.57 mA cm−2and power conversion efficiency (PCE) are 5.96 %, 7.83 %, 8.07 %, 9.28 % respectively. BothJscandPCEvalue of the four polymeric metal complexes increased in order. This may be due to the fact that larger radius of metal ion under the same change number can enhance the coordination bond and cause stronger electron‐withdrawing ability of auxiliary acceptor and stronger charge‐transfer ability between the donor and the acceptor, which results in higherJscand higherPCEof the polymeric complex dye sensitizer.
Catalyst‐Free, Heating‐Induced Desulfurization Annulation of CF3‐Imidoyl Sulfoxonium Ylides with Isothiocyanates for the Synthesis of 2‐Trifluoromethyl‐4‐aminoquinolines
Authors: Wei Guangming , Sun Yue , Zheng Dongling , Qiu Shiqi , Chen Zhengkai , Wu Xiao‐Feng 
Published: February 2023

AbstractA heating‐induced desulfurization annulation of readily available CF3‐imidoyl sulfoxonium ylides and isothiocyanates for the construction of 2‐trifluoromethylquinolines has been achieved. The developed transformation was performed under metal‐ and additive‐free conditions, producing a variety of biologically valuable 2‐trifluoromethylquinoline derivatives with high efficiency.
A new biosynthesis of CuCo2S4 nanoparticles as a high‐performance supercapacitor electrode and excellent non‐enzymatic hydrazine sensor
Authors: Hammami Mariem , Khadhraoui Hanen , Othmani Abdelhak , Zouaoui Mouldi 
Published: February 2023

AbstractIn this work, we report the biosynthesis of CuCo2S4 nanoparticles (Bio‐NPs) via hydrothermal method. The synthetized Bio‐NPs‐CuCo2S4 was studied as an active material of working electrode for electrochemical supercapacitor and non‐enzymatic hydrazine sensor. The Bio.NPs‐CuCo2S4/ITO electrode has a specific capacitance of 264 F/g at a current density of 1 A/g. Meanwhile, the electrode exhibits excellent electrochemical performances, such as an energy density of 33 Wh/Kg and a power density of 900 W/Kg. The Bio.NPs‐CuCo2S4/ITO electrode for non‐enzymatic hydrazine sensor exhibits a very high sensitivity of 2400 μA.mM−1.cm−2, a wide linear range from 0.001 to 1.400 mM and shows an excellent selectivity.