bluuebunny/crossref_metadata_2025_split huggingface dataset:
Oral Delivery of Protein Drugs via Lysine Polymer‐Based Nanoparticle Platforms
Authors: Han Shuyan , Xin Peikun , Guo Qilun , Cao Zhong , Huang Hai , Wu Jun 
Published: March 2023

AbstractOral delivery of proteins has opened a new perspective for the treatment of different diseases. However, advances of oral protein formulation are usually hindered by protein susceptibility and suboptimal absorption in the gastrointestinal tract (GIT). Polymeric nano drug delivery systems are considered revolutionary candidates to solve these issues, which can be preferably tunable against specific delivery challenges. Herein, a tailored family of lysine‐based poly(ester amide)s (Lys‐aaPEAs) is designed as a general oral protein delivery platform for efficient protein loading and protection from degradation. Insulin, as a model protein, can achieve effective internalization by epithelial cells and efficient transport across the intestinal epithelium layer into the systemic circulation, followed by controlled release in physiological environments. After the oral administration of insulin carried by Lys‐aaPEAs with ornamental hyaluronic acid (HA), mice with type 1 diabetes mellitus showed an acceptable hypoglycemic effect with alleviated complications. A successful oral insulin delivery is associated with patient comfort and convenience and simultaneously avoids the risk of hypoglycemia compared with injections, which is of great feasibility for daily diabetes therapy. More importantly, this versatile Lys‐aaPEAs polymeric library can be recognized as a universal vehicle for oral biomacromolecule delivery, providing more possibilities for treating various diseases.
Consumer demand for food at home and food away from home: Understanding economic linkages during the pandemic
Authors: Balagtas Joseph V. , Cooper Joseph , McLaughlin Patrick , Qin Fei 
Published: March 2023

AbstractHousehold food expenditure has shifted away from Food at Home (FAH) and towards Food Away from Home (FAFH). Prior to the COVID‐19 pandemic, FAFH's share of food expenditure surpassed that of FAH, reaching 55% in 2019. Yet economic research on FAFH and the interaction of FAFH and FAH has been limited. Combining scanner data for meat sales in grocery stores with data for FAFH expenditure, we estimate a model of demand for at‐home meat, incorporating FAFH expenditure as a demand shifter. We quantify substitution between FAFH expenditure and FAH meat and quantify the impact of the COVID‐19 disruptions to the food service sector on retail prices of FAH meat.
Brønstedsäure‐Katalyse – Kontrolle der Konkurrenz zwischen monomerem und dimerem Reaktionsweg erhöht Stereoselektivität
Authors: Franta Maximilian , Gramüller Johannes , Dullinger Philipp , Kaltenberger Simon , Horinek Dominik , Gschwind Ruth M. 
Published: March 2023

AbstractChirale Phosphorsäuren (CPS) sind inzwischen ein bevorzugter Katalysatortyp in der Organokatalyse, jedoch bleibt die Auswahl der optimalen Katalysatorstruktur weiterhin eine Herausforderung. Zusätzlich können unbekannte konkurrierende Reaktionswege die maximale Stereoselektivität und das Potenzial von Vorhersagemodellen einschränken. Bei der CPS‐katalysierten Transferhydrierung von Iminen haben wir für viele Systeme zwei Reaktionswege mit inverser Stereoselektivität gefunden, bei denen entweder eine monomere CPS oder ein Wasserstoffbrücken‐verknüpftes Dimer als Katalysator fungiert. NMR‐Messungen und DFT‐Berechnungen offenbarten ein dimeres Intermediat mit einer stärkeren Substrataktivierung durch Kooperativitätseffekte. Beide Wege können separiert werden: Niedrige Temperaturen und hohe Katalysatoranteile begünstigen den dimeren Reaktionsweg (ee bis zu −98 %), während niedrige Temperaturen und reduzierte Katalysatoranteil den monomeren Reaktionsweg fördern und zu einem signifikant verbesserten ee führen (92–99 % ee; vorher 68–86 % bei höheren Temperaturen). Insgesamt wird eine große Auswirkung auf die CPS‐Katalyse in Bezug auf Reaktionsoptimierung und Vorhersage erwartet.
Terminal Alkynes as One‐Carbon Donors in [5+1] Heteroannulation: Synthesis of Pyridines via Ynimine Intermediates and Application in the Total Synthesis of Anibamine B
Authors: Lavernhe Rémi , Wang Qian , Zhu Jieping 
Published: March 2023

AbstractTransition‐metal‐catalyzed [4+2] heteroannulation of α,β‐unsaturated oximes and their derivatives with alkynes has been developed into a powerful strategy for the synthesis of pyridines. It nevertheless lacks regioselectivity when unsymmetrically substituted alkynes are used. We report herein the unprecedented synthesis of polysubstituted pyridines by a formal [5+1] heteroannulation of two readily accessible building blocks. A copper‐catalyzed aza‐Sonogashira cross‐coupling between β,γ‐unsaturated oxime esters and terminal alkynes affords ynimines, which, without isolation, undergo an acid‐catalyzed domino reaction involving ketenimine formation, 6π‐electrocyclization and aromatization to afford pyridines. Terminal alkynes served as a one‐carbon donor to the pyridine core in this transformation. Di‐ through pentasubstituted pyridines are accessible with complete regioselectivity and excellent functional‐group compatibility. The first total synthesis of anibamine B, an indolizinium alkaloid with potent antiplasmodial activity, was accomplished featuring this reaction as a key step.
Nickel‐Catalyzed Chemoselective Arylation of Amino Alcohols
Authors: Morrison Kathleen M. , Yeung Charles S. , Stradiotto Mark 
Published: March 2023

AbstractA systematic evaluation of competitive bisphosphine/Ni‐catalyzed C−N versus C−O cross‐couplings involving model compounds enabled development of hitherto unknown chemoselective O‐ and N‐arylation of amino alcohols with (hetero)aryl chloride electrophiles, without recourse to protection group chemistry. Use of the CyPAd‐DalPhos pre‐catalyst C2 enabled particularly challenging O‐arylation chemoselectivity in amino alcohols featuring branched primary and secondary alkylamine groups, while selective N‐arylation was observed in substrates featuring less‐hindered linear alkylamine and aniline reacting groups. Useful reaction scope in the (hetero)aryl chloride was achieved throughout, and the ability to conduct such transformations using benchtop handling of materials is demonstrated.
Tough, Reprocessable, and Recyclable Dynamic Covalent Polymers with Ultrastable Long‐Lived Room‐Temperature Phosphorescence
Authors: Zhao Zi‐Han , Zhao Pei‐Chen , Chen Shi‐Yi , Zheng You‐Xuan , Zuo Jing‐Lin , Li Cheng‐Hui 
Published: March 2023

AbstractRoom‐temperature phosphorescence (RTP) polymers, whose emission can persist for a long period after photoexcitation, are of great importance for practical applications. Herein, dynamic covalent boronic ester linkages with internal B−N coordination are incorporated into a commercial epoxy matrix. The reversible dissociation of B−N bonds upon loading provides an efficient energy dissipation pathway for the epoxy network, while the rigid epoxy matrix can inhibit the quenching of triplet excitons in boronic esters. The obtained polymers exhibit enhanced mechanical toughness (12.26 MJ m−3), ultralong RTP (τ=540.4 ms), and shape memory behavior. Notably, there is no apparent decrease in the RTP property upon prolonged immersion in various solvents because the networks are robust. Moreover, the dynamic bonds endow the polymers with superior reprocessablity and recyclability. These novel properties have led to their potential application for information encryption and anti‐counterfeiting.
“First Come, First Served” and Threshold Effects in a Central‐to‐Planar‐to‐Helical Hierarchical Chiral Induction
Authors: Zhao Ting , Yi Jigao , Liu Chunhong , Liang Xiaotong , Shen Yanling , Wei Lingling , Xie Xiangyu , Wu Wanhua , Yang Cheng 
Published: March 2023

AbstractPerylene diimide tethered pillar[5]arene derivatives form aggregates in non‐polar organic solvents, and the complexation of cationic amino acid ethyl ester (cAA‐OEt) with the aggregates induce a central‐to‐planar‐to‐helical chirality transfer, leading to intensive circular dichroism (CD) signals having dissymmetric factors (gabs) of up to 3.67×10−2. The hierarchical chiral induction exhibited an intriguing threshold dose effect, namely, the chiral induction does not occur in the low concentration range of cAA‐OEt but is triggered when cAA‐OEt exceeds a threshold concentration. The inhibited interconversion between the Rp and Sp conformers of pillar[5]arene, which is further restricted in the aggregation, plays a crucial role in the threshold effect. When adding enantiopure cAA‐OEt first to the threshold concentration and then adding an equal amount of the antipodal cAA‐OEt to give cAA‐OEt in racemic form, CD spectra having the same sign as the CD induced by first adding pure cAA‐OEt were induced, thus showing an unprecedented “first come, first served” effect.
Accelerated Workflow for Antiperovskite‐based Solid State Electrolytes
Authors: Sjølin Benjamin H. , Jørgensen Peter B. , Fedrigucci Andrea , Vegge Tejs , Bhowmik Arghya , Castelli Ivano E. 
Published: March 2023

AbstractWe developed and implemented a multi‐target multi‐fidelity workflow to explore the chemical space of antiperovskite materials with general formula X3BA (X=Li, Na, Mg) and Pm‐3m space group, searching for stable high‐performance solid state electrolytes for all‐solid state batteries. The workflow is based on the calculation of thermodynamic and kinetic properties, including phase and electrochemical stability, semiconducting behavior, and ionic diffusivity. To accelerate calculation of the kinetic properties, we use a surrogate model to predict the transition state structure during ionic diffusion. This reduces the calculation cost by more than one order of magnitude while keeping the mean error within 73 meV of the more accurate nudged elastic band method. This method identifies 14 materials that agree with the experimentally reported results as some of the best solid state electrolytes. Moreover, this approach is general and chemistry neutral, so can be applied to other battery chemistries and crystal prototypes.
Choroidal metastasis and bilateral optic nerve involvement as presenting sign of metastatic lung adenocarcinoma: A case report
Authors: Shariati Mehrdad Motamed , Khazaei Sahel 
Published: March 2023

AbstractA 49‐year‐old male presented with a gradually progressive loss of vision in both eyes. Funduscopic examination revealed bilateral optic disc swelling and two yellowish elevated choroidal lesions in the left eye. Ophthalmic imaging raised suspicion of choroidal metastasis. Adenocarcinoma of the lung was detected in further systemic evaluation.
Cobalt‐Nickel Ultrathin Hexagonal Nanosheets for High‐performance Asymmetric Supercapacitors
Authors: Xu Xuebing , Song Yang , Hu Chaoquan , Shao Mingyuan , Li Chang 
Published: March 2023

AbstractIn this work, uniform ultrathin hexagonal nanosheets of Co−Ni bimetallic hydroxides are synthesized using a simple green hydrothermal synthesis method. By tuning a Co/Ni mole ratio of 1 : 2, a special nanosheet structure of Co0.32Ni0.68(OH)2 was obtained with high interlayer spacing and large pore size. This nanosheet exhibits an enhanced specific capacity as high as 1021.96 C/g at 0.5 A/g, 12 times higher than Co(OH)2 (83.23 C/g). The high electrochemical performance is attributed to the interfacial interaction between Co2+ and Ni2+, as well as its special nanosheet structure. The advantages of the composition and structure are further confirmed by density functional theory (DFT) calculations. Besides, the energy storage process was visually observed by in situ Fourier transform infrared (FTIR) spectroscopy. Furthermore, an asymmetric supercapacitor (ASC) is assembled by Co0.32Ni0.68(OH)2 and activated carbon electrodes. The ASC delivers a high energy density of 54.97 W h/kg at a power density of 1.68 kW/kg and maintains 33.52 W h/kg at 32.66 kW/kg. These results highlight the promising applications of ultrathin Co0.32Ni0.68(OH)2 nanosheets as a high‐performance electrode material in supercapacitors.
Electronic and Charge Transport Properties in Bridged versus Unbridged Nanohoops: Role of the Nanohoop Size
Authors: Lucas Fabien , Brouillac Clément , McIntosh Nemo , Giannini Samuele , Rault‐Berthelot Joëlle , Lebreton Christophe , Beljonne David , Cornil Jérôme , Jacques Emmanuel , Quinton Cassandre , Poriel Cyril 
Published: March 2023

AbstractIn the field of π‐conjugated nanohoops, the size of the macrocycle has a strong impact on its structural characteristics, which in turn affect its electronic properties. In this work, we report the first experimental investigations linking the size of a nanohoop to its charge transport properties, a key property in organic electronics. We describe the synthesis and study of the first example of a cyclocarbazole possessing five constituting building units, namely [5]‐cyclo‐N‐butyl‐2,7‐carbazole, [5]C‐Bu‐Cbz. By comparison with a shorter analogue, [4]‐cyclo‐N‐butyl‐2,7‐carbazole, [4]C‐Bu‐Cbz, we detail the photophysical, electrochemical, morphological and charge transport properties, highlighting the key role played by the hoop size. In particular, we show that the saturated field effect mobility of [5]C‐Bu‐Cbz is four times higher than that of its smaller analogue [4]C‐Bu‐Cbz (4.22×10−5 vs 1.04×10−5 cm2 V−1 s−1). However, the study of the other organic field‐effect transistor characteristics (threshold voltage VTH and subthreshold slope SS) suggest that a small nanohoop is beneficial for good organization of the molecules in thin films, whereas a large one increases the density of structural defects, and hence of traps for the charge carriers. The present findings are of interest for the further development of nanohoops in electronics.
Development and Use of a Real‐time In‐situ Monitoring Tool for Electrochemical Advanced Oxidation Processes
Authors: Schroeder Chelsea M. , León Sandoval Arturo , Ohlhorst Kristiane K. , Leadbeater Nicholas E. 
Published: March 2023

AbstractAn apparatus for real‐time in‐situ monitoring of electrochemical advanced oxidation processes using visible spectrophotometry has been developed. Central to the design is a 3D‐printed sleeve that interfaces commercially available electrochemical and spectrophotometry units. Using the anodic oxidation of Acid Orange 7 as a test bed, the apparatus has been used for probing the impact of varying electrode composition, current density, electrolyte concentration, and stirring speed on the rate of decolorization. In addition, the unit was used to prove that decolorization can continue after electrolysis has been stopped, thereby showing the inherent value of real‐time monitoring. Given that a significant challenge in the field of advanced oxidation processes is the inability to compare different reported systems, our approach, using commercially available equipment and a printable interface may open avenues for more standardized data collection.
g‐C3N4 Nanosheet Nanoarchitectonics: H2 Generation and CO2 Reduction
Authors: Zhang Xiao , Yang Ping 
Published: March 2023

AbstractFew‐layered graphitic carbon nitride (g‐C3N4) has been considered a popular base for constructing composite materials in photocatalytic CO2 reduction and H2 generation applications, particularly for constructing g‐C3N4 based composites based on the idea of nanoarchitectonics. The photocatalytic activity of these constructed g‐C3N4 composites relies on the composition, morphology, microstructure of the material. This review aims to focus on the summary of latest progress in the development of few‐layered g‐C3N4 nanosheets based noble metal clusters/nanoparticles and other semiconductor nanomaterials modified composite materials constructed using the technology of nanoarchitectonics for photocatalytic H2 generation and CO2 reduction. This review covers a brief introduction of the enhanced photogenerated carrier separation and transfer as well as extended light absorption of superior thin g‐C3N4 nanosheets based photocatalysts; discussions on the mechanism of g‐C3N4 based photocatalyst involved photocatalytic H2O splitting and CO2 reduction system; the latest progress in the study of nanoarchitectonics of a variety of g‐C3N4 based heterostructures including type II, Z‐scheme, S‐scheme, and Schottky junction. Major challenges on nanoarchitectonics of superior thin g‐C3N4 based heterostructures, as well as the recommendations for future studies of these materials to attain higher efficiency in photocatalytic H2 generation and CO2 reduction, are also concluded.
Copper‐Based MOF Crystals for Low‐k Dielectric Applications
Authors: Vineetha V. S. , Pradyumnan P.P. 
Published: March 2023

AbstractMetal‐organic frameworks (MOFs) are precious resources for future demands in every realm of life. Currently, researchers are striving to create MOF materials with low dielectric constants for the microelectronic sector. In this work, a MOF compound, copper dimandelate (CuDM), is crystallized using the regulated diffusion of cations through viscous reactant media and its suitability for dielectric applications is studied for the first time. The crystallinity of the compound is confirmed and structural characterization is carried out using powder X‐ray diffraction measurements. The various functional groups present in the grown sample are confirmed by Fourier transform infrared and Raman analyses. Thermogravimetric analysis establishes the thermal stability of the material up to a temperature of 220 °C. The predicted chemical formula, (Cu[(C6H5) HOCH COO)]2) is verified by CHNS elemental analysis. The observed dielectric constant varies from 18.55 to 8.15 with applied frequency ranging from 0.01 Hz to 10 MHz, making it suitable for low‐k dielectric applications. The optical band gap and Urbach energy are obtained as 3.65 and 0.6211 eV, respectively, by UV–vis analysis. Solid‐state dielectric parameters, which include valence electron plasma energy, Penn gap, Fermi energy, electrical polarizability, and susceptibility of the material, are calculated using theoretical formulations.
A systematic review comparing the macrophage inflammatory response to hydrophobic and hydrophilic sandblasted large grit, acid‐etched titanium or titanium–zirconium surfaces during in vitro studies
Authors: Donohoe Eamonn , Kahatab Rawan , Barrak Fadi 
Published: March 2023

AbstractObjectivesMacrophages are among the first cells to interact with the dental implant surface and are critical regulators for controlling the immune response toward biomaterials. Macrophages can polarize between two main phenotypes: proinflammatory M1 macrophages and anti‐inflammatory M2 macrophages. This systematic review aims to determine if a differing macrophage inflammatory response exists on hydrophilic sandblasted large grit, acid‐etched (SLActive) surfaces compared to sandblasted large grit, acid‐etched (SLA) titanium or titanium–zirconium surfaces during in vitro studies.Material and MethodsA systematic search of three electronic databases, Medline, DOSS (Dentistry and Oral Sciences Source), and WoS (Web of Science), was performed. Only in vitro studies were included in this systematic review. The electronic search was supplemented with a search of the references. Genetic expression and production of proinflammatory and anti‐inflammatory proteins were assessed. The synthesis of quantitative data was completed by narrative synthesis.ResultsA total of 906 studies were found with the systematic search. Eight studies remained after the application of inclusion and exclusion criteria. Six studies used murine macrophages, while two used human macrophages. Discs were used in six studies, while dental implants were used in the remaining two studies. Genetic expression and cytokine production of proinflammatory cytokines on SLActive surfaces were reduced compared to SLA. Anti‐inflammatory genetic expression and cytokine production was increased on SLActive surfaces. The overall quality of the included studies was low to moderate.ConclusionsSLActive surfaces modulate macrophages to reduce proinflammatory and increase anti‐inflammatory gene expression and cytokine production compared to SLA surfaces. The in vitro nature of the included studies does not replicate the in vivo healing cascade. Further in vivo studies are required to assess the macrophage response toward SLActive implant surfaces compared to SLA surfaces.
Review of FACTS technologies and applications for accelerating penetration of wind energies in the power system
Authors: Ghadimi A. A. , Gholami M. , Miveh M. R. 
Published: March 2023

AbstractConventional energy resource problems made power system planners apply more renewable energy sources (RESs) in the power system. RESs have a significant impact on fulfilling the world's energy demand, protecting the environment at least in the exploration phase, and providing energy reliability as well as security for the new generation of power grids. In this regard, wind power generation is considered a promising solution. However, by increasing the share of wind power generation units in the power sector, some challenges, such as voltage problems, transient stability, increasing system losses, and line congestions can occur. Consequently, an alternative solution is required to accelerate wind power units' connections to the grid by preventing the problems caused by the penetration of wind power. In this regard, Flexible Alternating Current Transmission Systems (FACTS) devices can play an important role while they can improve power grid dynamic performance. This paper presents a review of the optimization techniques applied to accelerate the penetration of wind energy by exploiting FACTS devices. The topic identifies the objectives and optimization formulations, as well as schemes and models available in the published literature. This survey gives noteworthy insights to the researchers to cover available solutions in these regards. The literature in the field is summarized in different aspects, such as FACTS technology, objective functions, constraints, optimization methods, planning or operation purposes, and load flow types. At each aspect, a comparison is derived to recognize the most important issues. The result of the review is the finding of future work and contributions which can be done in the field of wind energy integration acceleration using FACTS devices and the output of the paper can be used as a guide for researchers to find a new path for research in this area.
The existence of λ $\lambda $‐decomposable super‐simple (4,2λ) $(4,2\lambda )$‐GDDs of type gu ${g}^{u}$ with λ=2,4 $\lambda =2,4$
Authors: Yu Huangsheng , Chen Jingyuan , Abel R. Julian R. , Wu Dianhua 
Published: March 2023

AbstractA design is said to be super‐simple if the intersection of any two of its blocks has at most two elements. A design with index is said to be ‐decomposable, if its blocks can be partitioned into nonempty collections , , such that each with the point set forms a design with index . In this paper, it is proved that for , there exists a ‐decomposable super‐simple ‐GDD of type if and only if , and , except for , and except possibly for .
Ordered covering arrays and upper bounds on covering codes
Authors: Castoldi André Guerino , Monte Carmelo Emerson L. , Moura Lucia , Panario Daniel , Stevens Brett 
Published: March 2023

AbstractThis work shows several direct and recursive constructions of ordered covering arrays (OCAs) using projection, fusion, column augmentation, derivation, concatenation, and Cartesian product. Upper bounds on covering codes in Niederreiter–Rosenbloom–Tsfasman (shorten by NRT) spaces are also obtained by improving a general upper bound. We explore the connection between ordered covering arrays and covering codes in NRT spaces, which generalize similar results for the Hamming metric. Combining the new upper bounds for covering codes in NRT spaces and ordered covering arrays, we improve upper bounds on covering codes in NRT spaces for larger alphabets. We give tables comparing the new upper bounds for covering codes to existing ones.