bluuebunny/crossref_metadata_2025_split huggingface dataset:
Personalized Volumetric Tissue Generation by Enhancing Multiscale Mass Transport through 3D Printed Scaffolds in Perfused Bioreactors
Authors: Forrestal David P , Allenby Mark C , Simpson Benjamin , Klein Travis J , Woodruff Maria A 
Published: June 2022

AbstractEngineered tissues provide an alternative to graft material, circumventing the use of donor tissue such as autografts or allografts and non‐physiological synthetic implants. However, their lack of vasculature limits the growth of volumetric tissue more than several millimeters thick which limits their success post‐implantation. Perfused bioreactors enhance nutrient mass transport inside lab‐grown tissue but remain poorly customizable to support the culture of personalized implants. Here, a multiscale framework of computational fluid dynamics (CFD), additive manufacturing, and a perfusion bioreactor system are presented to engineer personalized volumetric tissue in the laboratory. First, microscale 3D printed scaffold pore geometries are designed and 3D printed to characterize media perfusion through CFD and experimental fluid testing rigs. Then, perfusion bioreactors are custom‐designed to combine 3D printed scaffolds with flow‐focusing inserts in patient‐specific shapes as simulated using macroscale CFD. Finally, these computationally optimized bioreactor‐scaffold assemblies are additively manufactured and cultured with pre‐osteoblast cells for 7, 20, and 24 days to achieve tissue growth in the shape of human calcaneus bones of 13 mL volume and 1 cm thickness. This framework enables an intelligent model‐based design of 3D printed scaffolds and perfusion bioreactors which enhances nutrient transport for long‐term volumetric tissue growth in personalized implant shapes. The novel methods described here are readily applicable for use with different cell types, biomaterials, and scaffold microstructures to research therapeutic solutions for a wide range of tissues.
Breathable and Stretchable Dressings for Accelerating Healing of Infected Wounds
Authors: Wang Le , Zheng Wenfu , Hou Qinghong , Zhong Leni , Li Qizhen , Jiang Xingyu 
Published: June 2022

AbstractMultidrug‐resistant (MDR) bacteria‐infected wounds are challenging issues that threaten human health. Herein, L‐thioproline (T) and Boc‐capped L‐thioproline (BT)‐decorated gold nanoparticles (TBT‐GNPs) with potent antibacterial activity against MDR bacteria are reported. The TBT‐GNPs are composited with bacterial cellulose to form wound dressings which show excellent antimicrobial performance both in vitro and in vivo. Moreover, this dressing is both breathable and stretchable which is favorable for gas exchange to accelerate the wound healing. This work is insightful for developing multifunctional dressings to satisfy the clinical requirements.
Identifying the Correlation between Structural Parameters and Anisotropic Magnetic Properties in IMnV Semiconductors: A Possible Room‐Temperature Magnetism
Authors: Yoo Byung Il , Lee Nahyun , Lamichhane Bipin , Bang Joonho , Song Hyun Yong , Park Byung Cheol , Lee Kyu Hyoung , Kim Seong‐Gon , Kim Sung Wng 
Published: June 2022

AbstractLayer‐structured materials are of central importance in a wide range of research fields owing to their unique properties originating from their two dimensionality and anisotropy. Herein, quasi‐2D layer‐structured IMnV (I: alkali metals and V: pnictogen elements) compounds are investigated, which are potential antiferromagnetic (AFM) semiconductors. Single crystals of IMnV compounds are successfully grown using the self‐flux method and their electronic and magnetic properties are analyzed in correlation with structural parameters. Combined with theoretical calculations, the structural analysis indicates that the variation in the bonding angle between VMnV is responsible for the change in the orbital hybridization of Mn and V, predominantly affecting their anisotropic semiconducting properties. Anisotropy in the magnetic properties is also found, where AFM ordering is expected to occur in the in‐plane direction, as supported by spin–structure calculations. Furthermore, a possible ferromagnetic (FM) transition is discussed in relation to the vacancy defects. This study provides a candidate material group for AFM and FM spintronics and a basis for exploring magnetic semiconductors in quasi‐2D layer‐structured systems.
Enzyme‐Inspired Microenvironment Engineering of a Single‐Molecular Heterojunction for Promoting Concerted Electrochemical CO2 Reduction
Authors: Han Shu‐Guo , Zhang Min , Fu Zhi‐Hua , Zheng Lirong , Ma Dong‐Dong , Wu Xin‐Tao , Zhu Qi‐Long 
Published: June 2022

AbstractChallenges remain in the development of novel multifunctional electrocatalysts and their industrial operation on low‐electricity pair‐electrocatalysis platforms for the carbon cycle. Herein, an enzyme‐inspired single‐molecular heterojunction electrocatalyst ((NHx)16‐NiPc/CNTs) with specific atomic nickel centers and amino‐rich local microenvironments for industrial‐level electrochemical CO2 reduction reaction (eCO2RR) and further energy‐saving integrated CO2 electrolysis is designed and developed. (NHx)16‐NiPc/CNTs exhibit unprecedented catalytic performance with industry‐compatible current densities, ≈100% Faradaic efficiency and remarkable stability for CO2‐to‐CO conversion, outperforming most reported catalysts. In addition to the enhanced CO2 capture by chemisorption, the sturdy deuterium kinetic isotope effect and proton inventory studies sufficiently reveal that such distinctive local microenvironments provide an effective proton ferry effect for improving local alkalinity and proton transfer and creating local interactions to stabilize the intermediate, ultimately enabling the high‐efficiency operation of eCO2RR. Further, by using (NHx)16‐NiPc/CNTs as a bifunctional electrocatalyst in a flow cell, a low‐electricity overall CO2 electrolysis system coupling cathodic eCO2RR with anodic oxidation reaction is developed to achieve concurrent feed gas production and sulfur recovery, simultaneously decreasing the energy input. This work paves the new way in exploring molecular electrocatalysts and electrolysis systems with techno‐economic feasibility.
Rational Design of Nature Molybdenite with La2O3 Catalysts for Improved Energy‐Storage Behaviors
Authors: Yang Chunye , Lin Siyuan , Zhao Wenqing , Dong Yu , Qi Yueheng , Yuan Shaohui , Zeng Zihao , Wang Li , Yang Yue , Ge Peng 
Published: June 2022

AbstractNatural molybdenite (MoS2) displays large interlayer distance and rich electrochemical activities, but suffers from the complex preparation process with serious pollution. MoS2, as the low‐cost resources, have captured numerous attentions as first‐hand energy‐storage materials. However, they are still limited by the shuttling of polysulfide and side reactions. Through the in situ solution deposition and thermochemical methods, molybdenite@La2O3 is successfully prepared with the formation of MoSLa bonds in the interfaces. La2O3, as the important catalyst, is uniformly distributed on the surface of molybdenite, which serves vital roles in the redox reversibility. Owing to the fascinating architecture, the as‐obtained samples deliver a considerable capacity of 803.1 mA h g−1, with high coulombic efficiency of 86.32%. After 500 cycles, the capacity increases up to ≈1200 mA h g−1. Even at 5.0 A g−1, its capacity can be remained ≈550 mA h g−1after 100 cycles. Assisted by the detailed kinetic behaviors, the improved energy‐storage capability mainly comes from the enhancements of pseudocapacitive behaviors. Moreover, benefiting from the detailed resistance analysis, the existing of La2O3 can induce the evolution of redox reactions stability. Thus, the work is expected to provide effective modified strategy for natural molybdenite in energy‐storage systems.
Functional Nanomaterials from Waste and Low‐Value Natural Products: A Technological Approach Level
Authors: Levchenko Igor , Mandhakini Mohandas , Prasad Karthika , Bazaka Olha , Ivanova Elena P. , Jacob Mohan V. , Baranov Oleg , Riccardi Claudia , Roman H. Eduardo , Xu Shuyan , Bazaka Kateryna 
Published: June 2022

AbstractLow‐ and negative‐value (waste) products represent a valuable resource. Its use as a source for the fabrication of high value materials represents a lucrative pathway to increasing sustainability and decreasing the economic cost of various industries. Thermochemical methods for the valorization of biowaste and low‐value natural products are simple and cheap yet sufficiently efficient to deliver significant economic benefits. Plasma‐based methods represent another family of technologies for waste‐to‐value conversion. The nanostructure nucleation and growth in plasmas involve a complex set of physical and chemical processes that occur in bulk plasma and on surfaces. The choice between these two types of technology assumes a complex optimization that takes into account several factors including the cost of precursors; initial outlay and operating cost of equipment; the cost of labor; the cost of production engineering including the research and development efforts for designing the industrial technology, which is typically higher for the plasma‐based systems, and so on. In this article a technology level comparison of thermochemical and plasma‐based techniques for the valorization of raw and waste biomass, where the intent is to use the resulting products for environmental remediation, energy storage, optoelectronics, and biomedical applications, is presented.
In Situ Green Preparation of Highly Stable CsPbBr3–Polyimide Films for Flexible Liquid Crystal Displays
Authors: Wang Dong , Zhang Guoxing , Jiang Dongliang , Jiang Xiaojie , Liang Bohao , Chen Yan , Chen Yeqing , Zeng Qingguang , Wang Jing 
Published: June 2022

AbstractInorganic lead halide perovskite quantum dots (QDs) CsPbX3 (X = Cl, Br, or I) with superior optical and electronic properties are regarded as excellent materials for various optoelectronic devices. However, their instability significantly hinders their practical applications. Herein, composite films of CsPbBr3 QDs and polyimide (CsPbBr3@PI) are prepared using an in situ green synthesis method without other ligands and anti‐solvents. This strategy allows the formation of CsPbBr3 QDs and polymerization of polyimide monomers to occur simultaneously, which encapsulates the CsPbBr3 QDs with a protective PI layer. The CsPbBr3@PI film has narrowband green emission and excellent stability against air, water, and light. The emission intensity of a CsPbBr3@PI film is maintained at 93% and 90% of the initial intensity after exposure to air for 43 days and immersion in water for 14 days, respectively. In addition, the water contact angle is 105°, indicating that the film has good hydrophobicity. Surprisingly, the film is not broken after repeated bending (1 250 times), and its emission intensity is almost unchanged, which illustrates that the film has excellent flexibility. The good performance of the obtained CsPbBr3@PI films indicates their potential as a backlight source for flexible liquid crystal display applications.
On the drag coefficient of flat and non‐flat solid particles of irregular shapes: An experimental validation study
Authors: Roostaee Amin , Faghani Ali , Vaezi Mahdi 
Published: June 2022

AbstractThe very wide varieties of geometries of irregular particles makes it difficult to study their motion also propose a simple and general equation to estimate their drag coefficient (CD). The goal of this research is to (1) experimentally validate the general CD correlation previously proposed by the authors of this article as a simple tool to estimate the CD of spherical to highly irregular particles over a wide ranges of Re from 0.001 to 300,000, and (2) examine and expand the reference model particles proposed by the authors to represent a wide range of irregular shapes (60 non‐flat and 36 flat). A comparison between the CD experimentally measured using reference model particles over a range of Re from 9 to 2481 and the CD estimated using general CD correlation, also comparing with CD correlations by others, demonstrated the accuracy and simplicity of the proposed general CD correlation.
Exact Mobility Edges and Topological Anderson Insulating Phase in a Slowly Varying Quasiperiodic Model
Authors: Lu Zhanpeng , Xu Zhihao , Zhang Yunbo 
Published: June 2022

AbstractThe relationship of topology and disorder in a 1D Su–Schrieffer–Heeger chain subjected to a slowly varying quasi‐periodic modulation is uncovered. By numerically calculating the disorder‐averaged winding number and analytically studying the localization length of the zero modes, the topological phase diagram is obtained, which implies that the topological Anderson insulator (TAI) can be induced by a slowly varying quasi‐periodic modulation. Moreover, unlike the localization properties in the TAI phase caused by random disorder, mobility edges can enter into the TAI region identified by the fractal dimension, the inverse participation ratio, and the spatial distributions of the wave functions, the boundaries of which coincide with the analytical results presented here.
Rhodium‐Catalyzed Asymmetric Hydrogenation of All‐Carbon Aromatic Rings
Authors: Ding Yi‐Xuan , Zhu Zhou‐Hao , Chen Mu‐Wang , Yu Chang‐Bin , Zhou Yong‐Gui 
Published: June 2022

AbstractCompared with heteroarenes, homogeneous asymmetric hydrogenation of all‐carbon aromatic rings is a longstanding challenge in organic synthesis due to the strong aromaticity and difficult enantioselective control. Herein, we report the rhodium/diphosphine‐catalyzed asymmetric hydrogenation of all‐carbon aromatic rings, affording a series of axially chiral cyclic compounds with high enantioselectivity through desymmetrization or kinetic resolution. In addition, the central‐chiral cyclic compounds were also obtained by asymmetric hydrogenation of phenanthrenes bearing a directing group. The key to success is the introduction of chiral diphosphine ligands with steric hindrance and strong electron‐donating properties. The axially chiral monophosphine ligands could be obtained by simple conversion of the hydrogenation products bearing the phosphine atom.
Diversification of Aryl Sulfonyl Compounds through Ligand‐Controlledmeta‐ andpara‐C−H Borylation
Authors: Wang Yajun , Chang Wenju , Qin Shengmeng , Ang Han , Ma Jiawei , Lu Shuo , Liang Yong 
Published: June 2022

AbstractAryl sulfones and aryl sulfonamides are of great importance in organic synthesis and medicinal chemistry. Althoughortho‐C−H functionalization of aryl sulfonyl compounds has been extensively explored, the functionalization of remotemeta‐andpara‐C−H bonds is very rare. Herein, we report a tunablemeta‐andpara‐selective C−H borylation of aryl sulfonyl compounds enabled by computationally designed ligands and iridium catalyst. This method is capable of accommodating a broad range of substrates under mild reaction conditions. Gram‐scale preparation can be achieved with iridium catalyst loading as low as 0.1 mol%. As the introduced boronate group can be easily converted into many other groups, our method provides a general solution to installing functional groups at eithermeta‐ orpara‐position of aryl sulfones and aryl sulfonamides with good to excellent selectivity.
Self‐Regulated Pathway‐Dependent Chirality Control of Silver Nanoclusters
Authors: Nakashima Takuya , Tanibe Riku , Yoshida Hiroto , Ehara Masahiro , Kuzuhara Miwa , Kawai Tsuyoshi 
Published: June 2022

AbstractImparting chirality affords additive values, functions and responsiveness in molecular systems including nanoscale materials. Here, we report pathway‐dependent chirality control in silver nanoclusters (NCs). The use of enantiomeric ligand, α‐dihydrolipoic acid (DHLA), for the synthesis of Ag NCs leads to the preferential formation of one‐handed chiral Ag29(DHLA)12 NCs with intrinsic chirality in the exterior shell composed of a silver‐dithiolate framework. Small Lewis base molecules such as pyridine bind to silver atoms in the shell of NC as a guest. The guest binding reverses the relative stability between the right‐ and left‐handed NCs upon a steric interaction with the chiral ligand DHLA in the exterior shell in a kinetic manner, leading to unprecedented chirality inversion in the synthesis of NCs. This mechanism is further extended to the self‐regulation or self‐replication of chirality through interNC interactions dependent on the concentration in the synthesis of NCs.
Rhodium‐Catalyzed Benzylic Addition Reactions of Alkylarenes to Michael Acceptors
Authors: Li Yuntong , Wu Wen‐Qiang , Zhu Hui , Kang Qi‐Kai , Xu Lun , Shi Hang 
Published: June 2022

AbstractThe use of alkylarenes as nucleophile precursors in benzylic addition is challenging because the benzylic hydrogen atoms of these compounds are inert to deprotonation. Herein, we report Rh‐catalyzed benzylic addition of alkylarenes to Michael acceptors for the formation of C(sp3)−C(sp3) bonds. The catalyst is proposed to activate the aromatic ring via η6‐coordination, dramatically facilitating deprotonation of the unactivated benzylic C−H bond and addition of the resulting carbanion to the α,β‐unsaturated double bond in the absence of bases. Notably, this byproduct‐free method provides an access to all‐carbon quaternary centers through the development of ligands.
Echelsbacher Brücke – Ersatzneubau unter Einbeziehung des denkmalgeschützten Bestandsbogens
Authors: Pahl Gerhard , Wilfer Stefan 
Published: June 2022

AbstractDie Echelsbacher Brücke verbindet die Gemeinden Bad Bayersoien und Rottenbuch. Das Bauwerk überführt die B 23 über die ca. 180 m breite Ammerschlucht in einer Höhe von ca. 76 m. Aufgrund der topografischen Situation vor den Ammergauer Alpen besitzt das Bauwerk eine enorme Bedeutung in der südwestlichen Region Oberbayerns. Die 1928 errichtete Brücke in Melan‐Spangenberg‐Bauweise war seinerzeit die weitestgespannte Melan‐Bogenbrücke der Welt. Die erhöhte Verkehrsbelastung, aber auch die vorhandenen Schäden an der filigranen Betonkonstruktion, ließen eine wirtschaftliche Instandsetzung auf das erforderliche Lastniveau nicht zu. Ein Ersatzneubau mit Erhalt der denkmalgeschützten Bogenkonstruktion war notwendig. Die vielfältigen Herausforderungen des Denkmalschutzes, des Natur‐ und des Artenschutzes bestimmten die Planung und Bauausführung. Die Echelsbacher Brücke mit dem schlanken abgesetzten Gewölbebogen, der die Bestandsbögen schützend überspannt, stellt eine moderne Interpretation des bestehenden Tragwerks dar und ist unverwechselbar und einzigartig.
Development, validation, and clinical application of a rapid UPLC–MS/MS method for detection of colchicine in human whole blood and urine
Authors: Bi Chongwen , Gao Ying , Li Chunlin , Gao Yuyang , Wang Kaiwen , He Yifan , Li Zhengxiang , Yuan Hengjie 
Published: June 2022

AbstractA rapid, simple, and economical method has been developed to determine colchicine in both human whole blood and urine using UPLC–MS/MS. Colchicine and isotope‐labeled internal standard were extracted from the matrix by liquid–liquid extraction with saturated borax and ethyl acetate, and separated by a reversed‐phase chromatography C18 column. Gradient elution was carried out using acetonitrile and water spiked with 0.01% formic acid. Multiple reaction monitoring was performed at positive ion mode. The quantitative transitions were m/z 400.27 → 310.28 for colchicine and m/z 406.16 → 313.18 for colchicine‐D6. The method has good linearity in the range of 0.5–200 ng/mL for blood and 2–2000 ng/mL for urine. The sensitivity, accuracy, and matrix effect were all in line with the guidelines of Food and Drug Administration and European Medicines Agency. The extraction recovery was above 63.94%. The samples were stable under various storage conditions. Six deuterium‐substituted isotopic internal standard was used to demonstrate a different mode of colchicine cleavage from the existing literature. This method has been successfully used in the diagnosis of patients with colchicine poisoning. Blood is recommended as the optimal sample compared with urine.
Application of polymersomes in membrane protein study and drug discovery: Progress, strategies, and perspectives
Authors: Lo Chih Hung , Zeng Jialiu 
Published: June 2022

AbstractMembrane proteins (MPs) play key roles in cellular signaling pathways and are responsible for intercellular and intracellular interactions. Dysfunctional MPs are directly related to the pathogenesis of various diseases, and they have been exploited as one of the most sought‐after targets in the pharmaceutical industry. However, working with MPs is difficult given that their amphiphilic nature requires protection from biological membrane or membrane mimetics. Polymersomes are bilayered nano‐vesicles made of self‐assembled block copolymers that have been widely used as cell membrane mimetics for MP reconstitution and in engineering of artificial cells. This review highlights the prevailing trend in the application of polymersomes in MP study and drug discovery. We begin with a review on the techniques for synthesis and characterization of polymersomes as well as methods of MP insertion to form proteopolymersomes. Next, we review the structural and functional analysis of the different types of MPs reconstituted in polymersomes, including membrane transport proteins, MP complexes, and membrane receptors. We then summarize the factors affecting reconstitution efficiency and the quality of reconstituted MPs for structural and functional studies. Additionally, we discuss the potential in using proteopolymersomes as platforms for high‐throughput screening (HTS) in drug discovery to identify modulators of MPs. We conclude by providing future perspectives and recommendations on advancing the study of MPs and drug development using proteopolymersomes.
Synthesis, in Vitro Cholinesterase Inhibition, Molecular Docking, DFT, and ADME Studies of Novel 1,3,4‐Oxadiazole‐2‐Thiol Derivatives
Authors: Tariq Sidra , Mutahir Sadaf , Khan Muhammad Asim , Mutahir Zeeshan , Hussain Safdar , Ashraf Muhammad , Bao Xiaofang , Zhou Baojing , Stark Christian B. W. , Khan Islam Ullah 
Published: June 2022

AbstractA series of 1,3,4‐oxadiazole‐2‐thiol derivatives bearing various alkyl or aryl moieties were designed, synthesized, and characterized using modern spectroscopic methods to yield 17 compounds (6a–6q) that were screened for acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes in the search for ′lead′ compounds for Alzheimer's disease treatment (AD). The compounds 6q, 6p, 6k, 6o, and 6l showed inhibitory capability against AChE and BChE, with IC50 values ranging from 11.73±0.49 to 27.36±0.29 μM for AChE and 21.83±0.39 to 39.43±0.44 μM for BChE, inhibiting both enzymes within a limited range. The SAR ascertained that the substitution of the aromatic moiety had a profound effect on the AChE and BChE inhibitory potential as compared to the aliphatic substitutions which were supported by the molecular docking studies. The drug‐likeness of the most synthesized compounds was confirmed by in silico ADME investigations. These results were additionally supplemented by the molecular orbital analysis (HOMO‐LUMO) and electrostatic potential maps got from DFT calculations. ESP maps expose that on all structures, there are two potential binding sites conquered by the most positive and most negative districts.
Student engagement and counseling skill self‐efficacy: Comparing two course formats
Authors: Mason Erin Chase McCarty , Dispenza Franco , Placeres Vanessa , Grad Ramona , Ray Merideth , Robertson Adrianne , Dosal‐Terminel Daniel , Metzler Mike 
Published: June 2022

AbstractA between‐group, repeated‐measures study compared sections of a career counseling course. One course used a flipped classroom design, while the other used a lecture. The flipped classroom yielded higher ratings of career counseling self‐efficacy and active engagement among students. There were no differences in helping skills self‐efficacy between the courses.