bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ferric Ions Modulated Carbon Dots as a Fluorescent Probe for the Detection of Neopterin: An Inflammatory Prognostic Marker for Risk Prediction and Severity of Covid‐19
Authors: Anju S. Madanan , Asokan Aswathy O. , Varghese Susan , Merin K. Abraham , Shkhair Ali Ibrahim , Jose Vidya , Syamchand S. Sasidharanpillai. , George Sony 
Published: June 2023

AbstractNeopterin (NPT) is a Guanosine Tri Phosphate (GTP) metabolite produced by activated macrophages and is considered a pro‐inflammatory and atherosclerotic agent. Beyond this NPT is a multi‐utility biomarker for assessing the status of various diseases including cardiovascular disease, depression, and malignant tumors as well as infections including viral and bacterial origin. Recent clinical investigations suggest the use NPT as a prognostic marker for the early prediction of the severity of Covid‐19, which is the prime concern of global public health. One of the main immunopathological characteristics of Covid‐19 is an excessive inflammatory response, and the severity of the infection is linked with macrophage activation syndrome (MAS). Hence the assessment of neopterin serves as an effective diagnostic tool for the risk prediction of Covid‐19. We present a fluorescence turn‐on sensor for neopterin using ferric ion‐modulated sulfur and nitrogen co‐doped carbon quantum dots. The linear detection of NPT was achieved with a limit of detection of 3.11 nM.
Click‐Generated Triazole‐Based Silanes: A Potent Chemosensor for Dihydrogen Phosphate
Authors: Singh Gurjaspreet , Tamana  , Deep Kaur Jashan , Gupta Sofia , Thakur Yamini , Malik Pooja , Singh Akshpreet , Priyanka  , Singh K. N. 
Published: June 2023

AbstractOver the years, ground and surface water has been reported to be contaminated with phosphates. These phosphates are known to cause various diseases and if present in excess can lead to eutrophication. The known silane chemistry has not been thoroughly investigated for the sensing of anions. In the current study four new triazole based silanes have been prepared by the renowned Click Chemistry for the selective and sensitive detection of dihydrogen phosphate. The synthesized compounds were well characterized by various spectroscopic techniques and their absorptive and emissive responses were investigated for the recognition of dihydrogen phosphate ions. The binding ratio between triazole based silane chemosensor and dihydrogen phosphate has been discovered from Job's plot and was also confirmed by non‐linear fitting method. The value of association constant was found to be 571.18 M−1. The limit of detection (LOD) and limit of quantitation (LOQ) were calculated by fluorescence spectroscopy. The results obtained clearly illustrated that triazole based silane could be used as a potent chemosensor for selective and sensitive recognition of dihydrogen phosphate. Further, the possible binding site of chemosensor for dihydrogen phosphate has been identified from 1H NMR studies and DFT calculations. At last real sample analysis was performed to check the practical applicability of chemosensor.
Encapsulation of Nano‐Bortezomib in Apoptotic Stem Cell‐Derived Vesicles for the Treatment of Multiple Myeloma
Authors: Cao Zeyuan , Li Peiyi , Li Yuzhen , Zhang Manjin , Hao Meng , Li Wenwen , Mao Xueli , Mo Lijie , Yang Chuan , Ding Xin , Yang Yi Yan , Yuan Peiyan , Shi Songtao , Kou Xiaoxing 
Published: June 2023

AbstractExtracellular vesicles (EVs) are lipid bilayer nanovesicles released from living or apoptotic cells that can transport DNA, RNA, protein, and lipid cargo. EVs play critical roles in cell–cell communication and tissue homeostasis, and have numerous therapeutic uses including serving as carriers for nanodrug delivery. There are multiple ways to load EVs with nanodrugs, such as electroporation, extrusion, and ultrasound. However, these approaches may have limited drug‐loading rates, poor EV membrane stability, and high cost for large‐scale production. Here, it is shown that apoptotic mesenchymal stem cells (MSCs) can encapsulate exogenously added nanoparticles into apoptotic vesicles (apoVs) with a high loading efficiency. When nano‐bortezomib is incorporated into apoVs in culture‐expanded apoptotic MSCs, nano‐bortezomib‐apoVs show a synergistic combination effect of bortezomib and apoVs to ameliorate multiple myeloma (MM) in a mouse model, along with significantly reduced side effects of nano‐bortezomib. Moreover, it is shown that Rab7 regulates the nanoparticle encapsulation efficiency in apoptotic MSCs and that activation of Rab7 can increase nanoparticle‐apoV production. In this study, a previously unknown mechanism to naturally synthesize nano‐bortezomib‐apoVs to improve MM therapy is revealed.
Fano‐Like Resonance from Disorder Correlation in Vacancy‐Doped Photonic Crystals
Authors: Pariente Jose Angel , Bayat Farzaneh , Blanco Alvaro , García‐Martín Antonio , Pecharromán Carlos , Marqués Manuel I. , López Cefe 
Published: June 2023

AbstractBy preparing colloidal crystals with random missing scatterers, crystals are created where disorder is embodied as vacancies in an otherwise perfect lattice. In this special system, there is a critical defect concentration where light propagation undergoes a transition from an all but perfect reflector (for the spectral range defined by the Bragg condition), to a metamaterial exhibiting an enhanced transmission phenomenon. It is shown that this behavior can be phenomenologically described in terms of Fano‐like resonances. The results show that the Fano's parameter q experiences a sign change signaling the transition from a perfect crystal exhibiting a reflectance Bragg peak, through a state where background scattering is maximum and Bragg reflectance reaches a minimum to a point where the system reenters a low scattering state recovering ordinary Bragg diffraction. A simple dipolar model considering the correlation between scatterers and vacancies is proposed and the reported evolution of the Fano‐like scattering is explained in terms of the emerging covariance between the optical paths and polarizabilities and the effect of field enhancement in photonic crystal (PhC) defects.
Enhanced Phosphorescence of Carbon Nanodots via Double Confinement for 3D Artworks with Long Emission Lifetimes
Authors: Lv Wen‐Hao , Cao Qing , Song Shi‐Yu , Liang Ya‐Chuan , Zhou Rui , Liu Kai‐Kai , Shan Chong‐Xin 
Published: June 2023

AbstractPhosphorescent materials as block elements to build artwork incorporating the time and emission, enable them with spectacular lighting effects. In this work, enhanced phosphorescence of carbon nanodots (CNDs) is demonstrated via double confinement strategy, which silica and epoxy resin are used as the first and the second order confinement layer. The multi‐confined CNDs show an enhanced phosphorescence quantum yield up to 16.4%, with enduring emission lifetime up to 1.44 s. Delicately, the plasticity of the epoxy resin enables them easily to be designed for 3D artworks with long emission lifetimes in different shapes. The efficient and eco‐friendly phosphorescent CNDs may arouse intense interest both in the academic community and markets.
D‐Band Center Optimization of Edge‐Rich Ultrathin RuZn Nanosheets With Moiré Superlattices for pH‐Universal Hydrogen Evolution Reaction
Authors: Yu Rui , Cao Xi , Chen Qingqing , Li Wenjiang , Huang Aijian , Wei Xianwen , Mao Junjie 
Published: June 2023

AbstractElectrocatalytic hydrogen evolution reaction (HER) is a promising way to produce pure and clean hydrogen. However, the preparation of efficient and economical catalysts for pH‐universal HER remains a challenging but rewarding task. Herein, ultrathin RuZn nanosheets (NSs) with moiré superlattices and abundant edges are synthesized. The RuZn NSs with unique structure exhibit superb HER performance with overpotentials of 11, 13, and 29 mV to achieve 10 mA cm−2 in 1 M KOH, 1 M PBS, and 0.5 M H2SO4, respectively, which is substantially lower than those of Ru NSs and RuZn NSs without moiré superlattices. Density functional theory investigations reveal that the charge transfer from Zn to Ru will lead the appropriate downshift of the d‐band center of surface Ru atoms, thus accelerating hydrogen desorption from the Ru sites, lowering the dissociation energy barrier of water and greatly improving the HER performance. This work provides an effective design scheme for high‐performance HER electrocatalysts over a wide pH range, and propose a general route to prepare Ru‐based bimetallic nanosheets with moiré superlattices.
Stabilized Anionic Redox by Rational Structural Design from Surface to Bulk for Long‐Life Fast‐Charging Li‐Rich Oxide Cathodes
Authors: Li Shihao , Guan Chaohong , Zhang Wei , Li Huangxu , Gao Xianggang , Zhang Shuai , Li Simin , Lai Yanqing , Zhang Zhian 
Published: June 2023

AbstractOn account of high capacity and high voltage resulting from anionic redox, Li‐rich layered oxides (LLOs) have become the most promising cathode candidate for the next‐generation high‐energy‐density lithium‐ion batteries (LIBs). Unfortunately, the participation of oxygen anion in charge compensation causes lattice oxygen evolution and accompanying structural degradation, voltage decay, capacity attenuation, low initial columbic efficiency, poor kinetics, and other problems. To resolve these challenges, a rational structural design strategy from surface to bulk by a facile pretreatment method for LLOs is provided to stabilize oxygen redox. On the surface, an integrated structure is constructed to suppress oxygen release, electrolyte attack, and consequent transition metals dissolution, accelerate lithium ions transport on the cathode–electrolyte interface, and alleviate the undesired phase transformation. While in the bulk, B doping into Li and Mn layer tetrahedron is introduced to increase the formation energy of O vacancy and decrease the lithium ions immigration barrier energy, bringing about the high stability of surrounding lattice oxygen and outstanding ions transport ability. Benefiting from the specific structure, the designed material with the enhanced structural integrity and stabilized anionic redox performs an excellent electrochemical performance and fast‐charging property..
Aminal‐Linked Covalent Organic Frameworks with hxl‐a and Quasi‐hcb Topologies for Efficient C2H6/C2H4 Separation
Authors: Yun Hongryeol , Kang Minjung , Kang Dong Won , Kim Hyojin , Choe Jong Hyeak , Kim Sun Young , Hong Chang Seop 
Published: June 2023

AbstractIn reticular chemistry, topology is a powerful concept for defining the structures of covalent organic frameworks (COFs). However, due to the lack of diversity in the symmetry and reaction stoichiometry of the monomers, only 5% of the two‐dimensional topologies have been reported to be COFs. To overcome the limitations of COF connectivity and pursue novel topologies in COF structures, two aminal‐linked COFs, KUF‐2 and KUF‐3, are prepared, with dumbbell‐shaped secondary building units. Linear dialdehydes and piperazine are condensed at a ratio of 1:2 to construct an aminal linkage, leading to unreported hxl‐a (KUF‐2) and quasi‐hcb (KUF‐3) structures. Notably, KUF‐3 displays top‐tier C2H6/C2H4 selectivity and C2H6 uptake at 298 K, outperforming most porous organic materials. The intrinsic aromatic ring‐rich and Lewis basic pore environments, and appropriate pore widths enable the selective adsorption of C2H6, as confirmed by Grand Canonical Monte Carlo simulations. Dynamic breakthrough curves revealed that C2H6 can be selectively separated from a gas mixture of C2H6 and C2H4. This study suggests that topology‐based design of aminal‐COFs is an effective strategy for expanding the field of reticular chemistry and provides the facile integration of strong Lewis basic sites for selective C2H6/C2H4 separation.
Degradation and Self‐Healing of FAPbBr3 Perovskite under Soft‐X‐Ray Irradiation
Authors: Milotti Valeria , Cacovich Stefania , Ceratti Davide Raffaele , Ory Daniel , Barichello Jessica , Matteocci Fabio , Di Carlo Aldo , Sheverdyaeva Polina M. , Schulz Philip , Moras Paolo 
Published: June 2023

AbstractThe extensive use of perovskites as light absorbers calls for a deeper understanding of the interaction of these materials with light. Here, the evolution of the chemical and optoelectronic properties of formamidinium lead tri‐bromide (FAPbBr3) films is tracked under the soft X‐ray beam of a high‐brilliance synchrotron source by photoemission spectroscopy and micro‐photoluminescence. Two contrasting processes are at play during the irradiation. The degradation of the material manifests with the formation of Pb0 metallic clusters, loss of gaseous Br2, decrease and shift of the photoluminescence emission. The recovery of the photoluminescence signal for prolonged beam exposure times is ascribed to self‐healing of FAPbBr3, thanks to the re‐oxidation of Pb0 and migration of FA+ and Br− ions. This scenario is validated on FAPbBr3 films treated by Ar+ ion sputtering. The degradation/self‐healing effect, which is previously reported for irradiation up to the ultraviolet regime, has the potential of extending the lifetime of X‐ray detectors based on perovskites.
Identification and structural characterization of lactose adduct impurities in isosorbide dinitrate and hydralazine hydrochloride tablets by liquid chromatography‐mass spectrometry and nuclear magnetic resonance studies
Authors: Muppavarapu Venkatarao , Challa Gangu Naidu , Gande Mukteeshwar , Billa Praveen Reddy , Joshi Venkatesh Madhavacharya , Ch Thirupathi , Ponnapalli Veerabhadra Swamy , Y Srinivasa Rao 
Published: June 2023

AbstractIsosorbide dinitrate and hydralazine hydrochloride tablets are approved for the treatment of heart failure, prolonged hospitalization for heart failure, and enhanced patient‐reported functional status. It has been administered orally. Isosorbide dinitrate and hydralazine hydrochloride tablets contained two additional major unknown peaks (Degradation Product 1 and Degradation Product 2) in the stability studies (25°C/60% relative humidity and 40°C/75% relative humidity). These two unknown degradation peaks formed due to the heat (thermal) and humidity stress of hydralazine hydrochloride. Liquid chromatography separated these unknown degradant peaks. Initially, liquid chromatography‐mass spectrometry assessed the degradation pathways and mass of two degradants. Afterward, preparative‐liquid chromatography isolated the two major unknown degradation impurities formed under heat (thermal) and humidity stress conditions. Further, to confirm the structures, nuclear magnetic resonance spectroscopy evaluated these two degradants. The liquid chromatography‐mass spectrometry and nuclear magnetic resonance spectral data confirmed that the two degradation impurities are hydralazine lactosone ring‐opened adduct (Degradation Product 1) and s‐triazolo [3,4‐α] phthalazine (Degradation Product 2).
Rethinking databases: The fib project for a connected data repository
Authors: Fernández‐Ordóñez David , Fernández Ruiz Miguel , Tošić Nikola , Wan‐Wendner Roman , de la Fuente Albert 
Published: June 2023

AbstractThe need for reliable test data to verify scientific theories together with the necessity to calibrate code‐oriented expressions and their level of safety have pushed researchers to develop test databases. Such databases collect the work of multiple independent scientific initiatives compiling experimental evidences on similar test configurations but with different parameters such as geometry, size of the component tested, boundary conditions, and/or mechanical properties of the materials. Such databases, usually collected for specific purposes, have traditionally faced maintenance, and especially consistency issues. Also, they have given rise to conflicting values due to different interpretations of the same data entries in databases elaborated by different researchers. In addition, such databases are frequently designed and configured to serve for one purpose, although their data could be used in multiple manners. Recent developments regarding machine learning and artificial intelligence have opened the door to exploiting historically collected test results by data mining techniques. In an effort to improve the current situation concerning databases, the fib has launched a wide and open initiative on test data management. It consists of a common data structure, sufficiently flexible to serve for multiple purposes, hosting very different test setups, and meant to be used for cross analyses of data. This allows reusing data originally developed for one purpose to analyze other aspects, enhancing the value of current experimental work. Also, a consistent management structure is defined taking advantage of the fib network, with database editors, collectors and users, allowing for a transparent and documented peer‐review process while incorporating new test data. This paper presents the main basis grounding the test data management as well as details on the first two completed applications, referring to fiber‐reinforced concrete (material data) and to punching of slab‐column connections (structural response), showcasing the framework versatility and universality.
Cortinarius subgenus Vibratiles (Agaricales), a new myxacioid taxon of global scope
Authors: Soop Karl , Nilsen Andy R. , Orlovich David A. , Ammirati Joseph F. , Dima Bálint 
Published: June 2023

AbstractA major fungal lineage of myxacioid taxa is centred around Cortinarius vibratilis. This lineage is shown by morphological and multigene molecular phylogenetic analyses of the nrDNA ITS and LSU, as well as rpb1 and rpb2 genes to form a well‐supported clade, here introduced as the new subgenus C. subg. Vibratiles consisting of four sections and various small clades. Two new myxacioid sections, C. sect. Microspermi and C. sect. Turcopedes, are also proposed.
α‐Amino Acids: An Emerging Versatile Synthon in Visible Light‐Driven Decarboxylative Transformations
Authors: Shao Tianju , Ban Xu , Jiang Zhiyong 
Published: June 2023

Abstractα‐Amino acids have been widely recognized as environmental‐benign and non‐fossil carbon sources both in biological and synthetic chemistry. In recent years, with the remarkable development of visible‐light photocatalysis in organic synthesis, α‐amino acid and its derivatives have received tremendous attention as radical precursors via photocatalyzed decarboxylation, thus realizing diverse aminoalkylated transformations or constructions of novel N‐bearing heterocyclic motifs by taking advantage of N‐atoms from α‐amino acid. This review aims to provide a comprehensive update on the recent exploitation of α‐amino acids in visible light photocatalysis, with particular emphasis on the types of α‐amino acids employed and their distinct mechanisms applied wherein.
Oxidative Dehydrogenation of Alkanes through Homogeneous Base Metal Catalysis
Authors: Wen Chenxi , Li Ting , Huang Zheng , Kang Qi‐Kai 
Published: June 2023

AbstractPreparing valuable olefins from cheap and abundant alkane resources has long been a challenging task in organic synthesis, which mainly suffers from harsh reaction conditions and narrow scopes. Homogeneous transition metals catalyzed dehydrogenation of alkanes has attracted much attention for its excellent catalytic activities under relatively milder conditions. Among them, base metal catalyzed oxidative alkane dehydrogenation has emerged as a viable strategy for olefin synthesis for its usage of cheap catalysts, compatibility with various functional groups, and low reaction temperature. In this review, we discuss recent development of base metal catalyzed alkane dehydrogenation under oxidative conditions and their application in constructing complex molecules.
QM/AMOEBA description of properties and dynamics of embedded molecules
Authors: Nottoli Michele , Bondanza Mattia , Mazzeo Patrizia , Cupellini Lorenzo , Curutchet Carles , Loco Daniele , Lagardère Louis , Piquemal Jean‐Philip , Mennucci Benedetta , Lipparini Filippo 
Published: June 2023

AbstractWe describe the development, implementation, and application of a polarizable QM/MM strategy, based on the AMOEBA polarizable force field, for calculating molecular properties and performing dynamics of molecular systems embedded in complex matrices. We show that polarizable QM/MM is a well‐understood, mature technology that can be deployed using a state‐of‐the‐art implementation that combines efficient numerical methods and linear scaling techniques. Thanks to these numerical advances and to the availability of parameters for a wide manifold of systems in the AMOEBA force field, polarizable QM/AMOEBA can be used for advanced production applications, that range from the prediction of spectroscopies to ground‐ and excited‐state multiscale ab initio molecular dynamics simulations.This article is categorized under:
Electronic Structure Theory > Ab Initio Electronic Structure Methods
Electronic Structure Theory > Combined QM/MM Methods
Human-Centered Work Design for the Internet of Production
Authors: Baier Ralph , Brauner Philipp , Brillowski Florian , Dammers Hannah , Liehner Luca , Pütz Sebastian , Schneider Sebastian , Schollemann Alexander , Steuer-Dankert Linda , Vervier Luisa , Gries Thomas , Leicht-Scholten Carmen , Mertens Alexander , Nagel Saskia K. , Schuh Günther , Ziefle Martina , Nitsch Verena 
Published: June 2023

AbstractLike all preceding transformations of the manufacturing industry, the large-scale usage of production data will reshape the role of humans within the sociotechnical production ecosystem. To ensure that this transformation creates work systems in which employees are empowered, productive, healthy, and motivated, the transformation must be guided by principles of and research on human-centered work design. Specifically, measures must be taken at all levels of work design, ranging from (1) the work tasks to (2) the working conditions to (3) the organizational level and (4) the supra-organizational level. We present selected research across all four levels that showcase the opportunities and requirements that surface when striving for human-centered work design for the Internet of Production (IoP). (1) On the work task level, we illustrate the user-centered design of human-robot collaboration (HRC) and process planning in the composite industry as well as user-centered design factors for cognitive assistance systems. (2) On the working conditions level, we present a newly developed framework for the classification of HRC workplaces. (3) Moving to the organizational level, we show how corporate data can be used to facilitate best practice sharing in production networks, and we discuss the implications of the IoP for new leadership models. Finally, (4) on the supra-organizational level, we examine overarching ethical dimensions, investigating, e.g., how the new work contexts affect our understanding of responsibility and normative values such as autonomy and privacy. Overall, these interdisciplinary research perspectives highlight the importance and necessary scope of considering the human factor in the IoP.
Empty and Real Innovation
Authors: Hallonsten Olof 
Published: June 2023

AbstractUntil just some decades ago, nobody spoke of innovation, and nobody crafted any innovation policies. But a lot of innovation surely happened anyway. This should prompt us to reflect: Is society’s current obsession with innovation perhaps counterproductive? There is a lot to suggest that real innovation happens to a lesser degree now than before. On basis of this realization, this chapter discusses, in turn, the consequences of empty innovation for societies, organizations, and individuals; the misunderstandings that seem to lie behind the obsession with innovation and its expressions in policy; what innovation really is; and finally, how real innovation can be promoted. Using secondary sources that analyze how innovation works and how it is best promoted, the chapter summarizes the learnings of the book overall and lays out an alternative path forward.