bluuebunny/crossref_metadata_2025_split huggingface dataset:
Psychosocial Burden Predicts Sustained Remission in Early Rheumatoid Arthritis: Unraveling the Complex Interplay of Well‐Being and Disease Activity
Authors: Doumen Michaël , De Cock Diederik , Pazmino Sofia , Bertrand Delphine , Joly Johan , Westhovens René , Verschueren Patrick 
Published: December 2021

ObjectiveThis study investigated how psychosocial aspects of disease affect the probability of achieving sustained remission in early rheumatoid arthritis (RA) and explored the directionality of this relationship.MethodsData were analyzed from the randomized controlled Care in Early RA trial. Sustained remission was defined as a continued Disease Activity Score in 28 joints using the C‐reactive protein level (DAS28‐CRP) of <2.6 from weeks 16 to 104. Patients completed the Short Form 36 (SF‐36) health survey, Revised Illness Perception Questionnaire (IPQ‐R), and the Utrecht Coping List. These psychosocial variables were studied at baseline and at week 16 as predictors of sustained remission with logistic regression. Next, subgroups of patients in remission at week 16 were identified by Latent Profile Analysis based on these psychosocial indicators. Time to first loss of remission was then compared between groups by Cox proportional hazards regression. Finally, directionality of associations between psychosocial indicators and DAS28‐CRP was explored with cross‐lagged panel models (CLPMs).ResultsSustained DAS28‐CRP remission was associated with higher SF‐36 scores and less passive coping at baseline and with higher SF‐36 scores and more positive IPQ‐R outcomes at week 16. Among patients in DAS28‐CRP remission at week 16 (n = 287), 2 subgroups were identified: a low psychosocial burden group (n = 231 of 287) and a high psychosocial burden group (n = 56 of 287). The low psychosocial burden group retained remission longer (hazard ratio 0.51 [0.35–0.73]). In the CLPM, temporal relationships between psychosocial well‐being and DAS28‐CRP were complex, bidirectional, and disease‐phase dependent.ConclusionSuboptimal psychosocial well‐being and negative illness perceptions predicted lower probability of sustained remission in an early RA cohort. Illness perceptions appeared to become more clinically relevant with time. Finally, 1 in 5 patients showed worse psychosocial outcomes despite early remission, and these patients tended to lose remission earlier.
Inverse Design of Ferroelectric‐Order in Perovskite Crystal for Self‐Powered Ultraviolet Photodetection
Authors: Wu Yabo , Wang Xuping , Tian Gang , Zheng Limei , Liang Fei , Zhang Shujun , Yu Haohai , Zhang Huaijin 
Published: December 2021

AbstractIt has always been a hot topic to design an orderly mesoscopic structure in functional materials to tailor the macroscopic properties or realize new functions. The existence of domains in ferroelectric materials has been proven to affect the macroscopic properties, being actively studied in nonlinear optical conversion and piezoelectric effects. However, the high‐efficiency photoelectric conversion capability of ferroelectric crystals has not yet been explored. Here, the authors study the orderly arrangement of ferroelectric order in KTa1−xNbxO3 (KTN) perovskite crystals, and design the “head‐to‐head” domains by tuning the Curie temperature Tc, thereby generating abundant charged domain walls and robust conductive channels for electrons and holes. An ultrahigh ultraviolet photoresponsivity is achieved in the KTN crystal under zero bias voltage, being about four orders magnitude higher than that of the well‐known ferroelectric materials. The substantial improvement can be attributed to the judiciously designed ferroelectric order, as demonstrated by the conductive atomic force microscopy. In addition, KTN detector exhibits high stability and reliability after high‐temperature and fatigue treatment. KTN crystal features giant photoresponsivity, high electric–optical coefficient, and large χ(2) nonlinearity concurrently, indicating its great potential for application of all‐optical devices on photonic chips.
Assembly of Bioactive Nanoparticles via Metal–Phenolic Complexation
Authors: Chen Jingqu , Pan Shuaijun , Zhou Jiajing , Lin Zhixing , Qu Yijiao , Glab Agata , Han Yiyuan , Richardson Joseph J. , Caruso Frank 
Published: December 2021

AbstractThe integration of bioactive materials (e.g., proteins and genes) into nanoparticles holds promise in fields ranging from catalysis to biomedicine. However, it is challenging to develop a simple and broadly applicable nanoparticle platform that can readily incorporate distinct biomacromolecules without affecting their intrinsic activity. Herein, a metal–phenolic assembly approach is presented whereby diverse functional nanoparticles can be readily assembled in water by combining various synthetic and natural building blocks, including poly(ethylene glycol), phenolic ligands, metal ions, and bioactive macromolecules. The assembly process is primarily mediated by metal–phenolic complexes through coordination and hydrophobic interactions, which yields uniform and spherical nanoparticles (mostly <200 nm), while preserving the function of the incorporated biomacromolecules (siRNA and five different proteins used). The functionality of the assembled nanoparticles is demonstrated through cancer cell apoptosis, RNA degradation, catalysis, and gene downregulation studies. Furthermore, the resulting nanoparticles can be used as building blocks for the secondary engineering of superstructures via templating and cross‐linking with metal ions. The bioactivity and versatility of the platform can potentially be used for the streamlined and rational design of future bioactive materials.
Intracellular Self‐Immolative Polyprodrug with Near‐Infrared Light Guided Accumulation and in Vivo Visualization of Drug Release
Authors: Cheng Dong‐Bing , Zhang Xue‐Hao , Chen Si‐Yi , Xu Xiao‐Xue , Wang Hao , Qiao Zeng‐Ying 
Published: December 2021

AbstractThe selective accumulation and real‐time monitoring of drug release at tumor site are the key bottlenecks to the clinical translation of polyprodrug. Herein, an intracellular self‐immolative polyprodrug (PMTO) is exploited, which not only shows the enhanced cellular internalization and selective accumulation in tumor site under the mild hyperthermia triggered by laser irradiation, but also possesses the self‐monitoring drug release ability in vivo. The polyprodrug amphiphiles are synthesized by sequential esterification reaction, and hydrophilic poly(ethylene glycol) serves as blocking agent. On account of the mild hyperthermia produced by PMTO under the laser irradiation at tumor site, the cell membranous permeability increases, resulting in the enhanced cellular internalization and drug accumulation in tumor. After internalized by cells, the self‐immolative PMTO nanoparticles can release free mitoxantrone (MTO) in intracellular reductive environment, and ratiometric photoacoustic imaging based on distinct signals between MTO and PMTO is presented to trace the drug release in vivo. Finally, this self‐monitoring polyprodrug presents significant tumor suppression efficacy, which exhibits great potential for guiding the clinical medication in cancer treatment.
Electrical Reverse Shift: Sustainable CO2 Valorization for Industrial Scale
Authors: Thor Wismann Sebastian , Larsen Kasper‐Emil , Mølgaard Mortensen Peter 
Published: December 2021

AbstractUtilization of CO2 is a requirement for a sustainable production of carbon‐based chemicals. The reverse water‐gas‐shift (RWGS) can valorize CO2 by reaction with hydrogen to produce a synthesis gas compatible with existing industrial infrastructure. Fully electrified reverse water‐gas‐shift (eRWGS™) was achieved using integrated ohmic heating and a nickel‐type catalyst at industrially relevant conditions. Using a feed of H2 : CO2 in a ratio of 2.25 at 10 barg, utilizing high temperature operation at 1050 °C allowed for production of a synthesis gas with a H2/CO ratio of 2.0 and no detectable methane, ideal for production of sustainable fuel by e.g. the Fischer–Tropsch synthesis. Facilitating RWGS through CH4 as intermediate was found superior to the selective RWGS route, due to higher activity and suppression of carbon formation. The eRWGS™ catalyst is found to provide a preferential emissions‐free route for production of synthesis gas for any relevant H2/CO ratio, enabling production of sustainable carbon‐based chemicals from CO2 and renewable electricity with high hydrogen and carbon efficiency.
Isospecific (Co)polymerization of Unmasked Polar Styrenes by Neutral Rare‐Earth Metal Catalysts
Authors: Jiang Yang , Zhang Zhen , Li Shihui , Cui Dongmei 
Published: December 2021

AbstractSyndioselective polymerization of unprotected polar styrenes has achieved great success via specially designed catalysts and the establishment of “self‐assisted” theory. In contrast, isospecific polymerization of polar styrenes has remained less explored. Herein, we present new racemic ansa‐bis(benz[e]indenyl) rare‐earth metal complexes and their high activity and perfect isoselectivity (mmmm>99 %) for the polymerization of unmasked polar styrenes without any activators. Moreover, the copolymerizations of para‐ and meta‐methoxystyrenes with styrene give gradient and random copolymers, respectively. The insertion rate of polar monomers could be readily tuned in the range of 0–100 mol % by changing their loading ratios. The resultant isotactic polar polystyrenes are quantitatively transformed into hydroxyl or methylsulfonyl polystyrenes with high Tgs. DFT calculations reveal the isospecific mechanism.
Mesoporous MOF composite for efficient removal of uranium, methyl orange, methylene blue, and Congo red dyes from aqueous solutions
Authors: Koppula Suresh , Manabolu Surya SurendraBabu , Katari Naresh Kumar , Dhami Prem Singh , Sivasankaran Nair Rajesh Kumar 
Published: December 2021

AbstractThe metal‐organic framework (MOF) composites have significant applications in removing water pollutants and heavy metals from aqueous solutions. The MOF‐2@Al2O3 composite was synthesized using zinc nitrate, 1,4‐benzene dicarboxylic acid, and Al2O3 using an in‐situ one‐pot solvothermal method. Physicochemical properties of MOF‐2@Al2O3 are characterized by X‐ray diffraction (XRD), Fourier transform infrared (FTIR), scanning electron microscopy‐energy dispersive X‐ray spectroscopy (SEM‐EDX), and Brunauer–Emmett–Teller (BET). Batch mode adsorption studies were carried for uranium (VI) effectively from 5‐M HNO3 solution with maximum adsorption of 300.3 mg/g. Furthermore, methyl orange (MO), methylene blue (MB), and Congo red (CR) dyes were removed from the aqueous solution using the fixed‐bed column adsorption method at room temperature. The pseudo second‐order model was well fitted to uranium adsorption rate on MOF‐2@Al2O3 composite, which indicates that chemisorption is the primary mechanism for removing U (VI). Effects of parameters such as flow rate, bed height, initial concentration, time, and pH are studied for azo dyes and U (VI) adsorption. Experimental results indicate that MOF‐2@Al2O3 can efficiently remove uranium and azo dyes with good reusability up to five cycles.
Synthesis of defected UIO‐66 with boosting the catalytic performance via rapid crystallization
Authors: Chu Liang , Guo Junzhen , Wang Liyan , Liu Huiyang , Yan Jiamin , Wu Lingmei , Yang Mu , Wang Ge 
Published: December 2021

AbstractDue to environmental and health concerns, it is very important to develop high activity oxidative desulfurization (ODS) catalyst for petroleum purification. Recently, defect engineering of metal organic frameworks (MOFs) to generate a large number of unsaturated catalytic active sites is a very promising approach. Defective MOF has good research value as ODS catalyst. Here, UIO‐66 with lots of defects can be prepared by rapid crystallization using concentrated hydrochloric acid as a modulator. The prepared UIO‐66 material has good industrial applicability due to its low synthesis temperature (100°C), short synthesis time (20–30 min), large‐scale preparation, and excellent catalytic performance (dibenzothiophene can be entirely removed in 6 min under the optimal catalytic conditions [25‐mg catalyst, 60°C, O/S 7.5]). The obtained material exhibits not only extraordinary ODS activity of 37.6 mmol h−1 g−1 but also good cycle stability for the removal of DBT (in 7 cycles without significant loss of activity, greater than 90.2%). And for large space volume 4,6‐DMDBT, it also shows excellent catalytic performance. The ODS mechanism of defect UIO‐66 for DBT is explored, and it proves that hydroxyl radicals and superoxide radicals are generated and play a critical role in ODS reaction. The excellent catalytic performance of defect UIO‐66 gives mainly the credit to the abundant defect sites, large specific surface area, and pore volume.
Taming the derivative: Diagnostics of the continuum and Hβ emission in a prototypical Population B active galaxy
Authors: Panda Swayamtrupta , Bon Edi , Marziani Paola , Bon Nataša 
Published: December 2021

AbstractWe report preliminary results on the analysis of the continuum and Hβ light curves of the type‐1 active galactic nucleus (AGN) NGC 5548. We notice a clear signature of shallowing in the trend between the Hβ and the continuum luminosities. We attempt the recovery of this observed Hβ emission trend as a response to large continuum flux increase using CLOUDY photoionization simulations. We explore a wide range in the physical parameters space for modeling the Hβ emission from the broad‐line region (BLR) appropriate for this source. We employ a constant density, single‐cloud model approach in this study and successfully recover the observed shallowing of the Hβ emission with respect to rising AGN continuum. With our modeling, we are able to provide the constraints on the local BLR cloud density and recover the BLR distances (from the continuum source) consistent with the Hβ reverberation mapping estimates. We further discuss the implications of the BLR covering factor and their sizes on recovering the observed trend.
Properties of the continuum and broad line emission gas in active galactic nuclei with moderate to strong Feii emission
Authors: Dias dos Santos Denimara , Rodrguez‐Ardila Alberto , Marinello Murilo 
Published: December 2021

AbstractWe study a sample of 67 active galactic nuclei (AGN) with moderate to strong Feii emission to investigate the relation between the observed AGN continuum and the lines produced by the broad line region (BLR), in particular, Feii. We found that the continuum in the optical/near‐infrared can be described in terms of two components: a power‐law, characterized by the spectral index α, and hot dust emission, represented by a Plank function of temperature T. These two parameters seem not to be related to the strength of Feii emission. In addition to Feii, we study other low‐ionization BLR lines such as Oi and Caii (hereafter CaT). We found that the full‐width at half maximum of these three lines are similar, suggesting that they are produced in the same spatial region of the BLR. We measure the Feii strength in the optical and the near‐infrared region and found that they are strongly correlated. This result evidences the presence of a common excitation mechanism for the Feii emission in the wavelength interval 4000–24000 Å.
Discovery of novel thienopyrimidine derivatives as LRRK2 inhibitors
Authors: Choi Changyu , Park Jiwon , Jang Soyeon , Kim Jihyung , Lee Sohee , Min Kyung Hoon 
Published: December 2021

AbstractLeucine‐rich repeat kinase 2 (LRRK2) is considered a promising therapeutic target for Parkinson's disease, Crohn's disease, and cancer. Despite considerable research, none of these inhibitors are available for clinical application. Herein, we designed and synthesized novel thienopyrimidine derivatives by a bioisosteric replacement and investigated their structure–activity relationships. Thieno[3,2‐d]pyrimidine derivative 22 showed the most potent inhibitory activity and inhibited both wild‐type and G2019S mutant LRRK2 with IC50 values of 30 and 14 nM, respectively.
Binding of carbon monoxide at a single nickel center and its oxidative reactivity toward CO2 and O2
Authors: Lee Kunwoo , Choi Jonghoon , Graham Peter M. , Lee Yunho 
Published: December 2021

AbstractA nickel(0) monocarbonyl complex (1‐CO) supported by a neutral tridentate PP2 ligand reveals significant stability toward CO2, which is clearly different from its analogous nickel monocarbonyl species supported by an anionic PNP ligand. Although both nickel(0)‐CO species possess a similar distorted tetrahedral geometry, the nickel site in 1‐CO is well protected by three phosphorus donors, while (NP2)Ni(CO) possesses a nickel center having a site trans to the amide donor for effective CO2 binding. The current study shows that the structural preference of a tridentate ligand dictates nickel's reactivity toward CO2. Its oxygenation by O2(g) results in the formation of a nickel(II) carbonate species, which is followed by generating phosphine oxide.
Tunneling dynamics dictated by the multidimensional conical intersection seam in the πσ*‐mediated photochemistry of heteroaromatic molecules
Authors: Kim Junggil , Woo Kyung Chul , Kim Kuk Ki , Kang Minseok , Kim Sang Kyu 
Published: December 2021

AbstractThe πσ*‐mediated photochemistry of heteroaromatic molecules has provoked the investigation of the conical intersection dynamics. The Born–Oppenheimer approximation fails at the conical intersection where the S1 (ππ*) and S2 (πσ*) states cross. The nonadiabatic transitions are much influenced by the nuclear configuration of the reactive flux particularly in the curve‐crossing region encountered along the reaction pathway. In this article, we focus on the tunneling dynamics of phenols and thiophenols. The O (S)H bond cleavage occurs via tunneling through the barrier which is dynamically shaped by the upper‐lying S1/S2 conical intersection in terms of the couplings at the individual branching planes as well as along the (3N‐8) dimensional seam coordinates. State‐specific tunneling rates and their interpretation are given for phenol, substituted phenols, thiophenol, ortho‐substituted thiophenols, and benzenediols including their 1:1 water clusters. The completely orthogonal modes to the tunneling coordinate are very critical in the dynamic shaping of the reaction barrier.
The importance of product lifetime labelling for purchase decisions: Strategic implications for corporate sustainability based on a conjoint analysis in Germany
Authors: Jacobs Kathleen , Hörisch Jacob 
Published: December 2021

AbstractThis article studies the influence of product lifetime labelling on purchase decisions. Based on consumer theory of Lancaster, experimental survey data are collected from a population representative sample of 499 German consumers, using choice‐based conjoint analysis. Hierarchical Bayes utility modelling suggests a substantial positive effect of product lifetime labelling on purchase decisions. However, the effect is not linear but decreasing with higher levels of product lifetime. The relative importance of the product lifetime label is found to be higher than that of the product's energy consumption or brand. Additionally, we show that the introduction of product lifetime labelling renders the positive influence of existing brands on purchase decisions less impactful. Therefore, strategic implications for companies differ substantially, depending on companies' current brand‐building. Besides implications for business strategy, the study informs marketers and policymakers about the potential of product lifetime labelling to stimulate the supply of, and demand for, more durable products.
Community college responses to align career and technical education programs with changing labor markets
Authors: Atwell Adam , Ecton Walter , Klein Sabrina , D'Amico Mark M. , Sublett Cameron 
Published: December 2021

AbstractA new wave of federal legislation is drastically affecting how community colleges create and deliver programs in career and technical education (CTE). A key focus area shared by these federal policy changes is program‐to‐labor market alignment in which community colleges must utilize local labor market data to tailor their CTE programs to meet the needs of local businesses and industry. This article presents an overview of the rapidly shifting economic and policy environments, and offers three exemplars of community colleges in rural, suburban, and urban service areas that have successfully aligned CTE programs with local labor market demand. In all, this article highlights innovations and best‐practices offered by these exemplars as the federal government makes alignment a top priority for the 21st century community college.
An update on the impacts of the community college baccalaureate
Authors: Wright‐Kim Jeremy 
Published: December 2021

AbstractSince their initial development in the early 1900s, and their rapid growth in the 1960s, community colleges have had a history of shifting focuses and programming, retooling academic offerings, and otherwise altering their behavior to meet the ever‐changing needs of their communities. Despite this defining characteristic as a sector of change, not every shift in institutional behavior has been met with approval. One such hotly debated expansion that is quickly spreading through the sector is the community college baccalaureate (CCB). This article briefly outlines the (mis)perceptions surrounding the community college baccalaureate landscape before providing an update on the rapidly growing body of research exploring the impact of CCBs on student access, institutional behavior, and workforce development. The article concludes with implications for practice and policy.
Rethinking community colleges to serve 21st‐century students and communities: Lessons from research on guided pathways
Authors: Jenkins Davis , Lahr Hana , Fink John 
Published: December 2021

AbstractIn this article, researchers from the Community College Research Center reflect on what they have learned from their study of Guided Pathways reforms at over 100 colleges nationally since the publication in 2015 of Redesigning America's Community Colleges. They examine five areas of practice: (1) program design, (2) new student onboarding, (3) remediation and academic support, (4) ongoing student advising, and (5) teaching and learning. For each area, they describe how their thinking about Guided Pathways has evolved from the model presented in Redesigning and discuss the implications for practice. In the conclusion, they provide guidance to college and state system leaders about how to advocate for adequate state fiscal support for evidence‐based reforms needed for achieving more equitable student outcomes and ensuring college survival in a very challenging environment for community colleges and their students.
Community colleges’ out‐of‐state transfer articulation agreements: An exploratory spatial network analysis of their prevalence, characteristics, and potential implications
Authors: González Canché Manuel S. 
Published: December 2021

AbstractPublic 2‐year colleges were designed to serve students coming primarily from their local communities, hence explaining their “community college” title. This study focuses on an understudied factor capable of altering the local workforce impact of community colleges while also potentially strengthening their 4‐year steppingstone function: Transfer articulation agreements with 4‐year institutions located out of state. This article documents the magnitude and structure of these agreements focusing on institutions’, states’, and programs’ prevalence. The analyses may serve as a reference or guide to institution and system leaders who may be considering engaging in these agreements. The discussion identifies programs and states wherein these agreements may be more easily established and offers recommendations that aim to protect the financial and academic well‐being of transfer students. Current demographic changes place institution and system leaders in an advantaged position to negotiate agreements and take actions to avoid jeopardizing the local impact of community colleges.