bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of Variable Amine Pendants in the Secondary Coordination Sphere of Manganese Bipyridine Complexes on the Electrochemical CO2 Reduction
Authors: Hong Wanwan , Jakobsen Joakim B. , Golo Dusanka , Madsen Monica R. , Ahlquist Mårten S. G. , Skrydstrup Troels , Pedersen Steen U. , Daasbjerg Kim 
Published: February 2024

AbstractThe increasing concentration of CO2 in the atmosphere and its impact on the climate are matters of significant concern. Extensive research is being conducted on molecular catalysts to electrochemically reduce CO2 into valuable products to disrupt the unidirectional carbon flow. This study compares two manganese bipyridine catalysts, tailored with four or two benzylic diethylamine groups in the secondary coordination sphere. Either of these amine‐bearing scaffolds positioned close to the Mn center serves as effective proton relays to facilitate the formation of the corresponding Mn hydride intermediate. Alongside competitive H2 evolution, the reaction of this crucial intermediate with CO2 leads to formate. Our findings underscore the pronounced influence of external Brønsted acids on product selectivity. Notably, when employing the catalyst bearing four amine groups, the HCOO−/H2 ratio varies from 81 : 3 with 1.0 M iPrOH to 16 : 64 with 1.0 M PhOH, while the Mn complex adorned with two amine pendant groups consistently favors HCOO−, irrespective of the utilized proton sources. Infrared spectroelectrochemistry and density‐functional theory calculations unveil distinct disparities in the reactivity of the Mn hydrides toward CO2 due to the change of ligand bulkiness in the two cases. This work substantiates the importance of modulating spatial accessibility while modifying the second sphere encompassing molecular catalysts.
Photoswitching in a Liquid Crystalline Pt(II) Coordination Complex
Authors: Wang Dan , Chen Jie , Wang Yixuan , Hao Xingtian , Peng Haiyan , Liao Yonggui , Zhou Xingping , Smalyukh Ivan I. , Xie Xiaolin 
Published: February 2024

AbstractPhotoswitching of photoluminescence has sparked tremendous research interests for super‐resolution imaging, high‐security‐level anti‐counterfeiting, and other high‐tech applications. However, the excitation of photoluminescence is usually ready to trigger the photoswitching process, making the photoluminescence readout unreliable. Herein, we report a new photoswitch by the marriage of spiropyran with platinum(II) coordination complex. Viable photoluminescence can be achieved upon excitation by 480 nm visible light while the photoswitching can be easily triggered by 365 nm UV light. The feasible photoswitching may be benefited from the formed liquid crystalline (LC) phase of the designed photoswitch as a crystalline spiropyran is normally unable to implement photoswitching. Compared to the counterparts, this LC photoswitch can show distinct and reliable apparent colors and emission colors before and after photoswitching, which may promise the utility in high‐security‐level anti‐counterfeiting and other advanced information technologies.
Assessing the efficacy of three bio‐based flocculants in the reclamation of spent lubricating oil
Authors: Sarkar Sayantan , Datta Deepshikha , Saha Shouvik , Das Bimal 
Published: February 2024

AbstractThe current study encompasses a comprehensive assessment of three biopolymeric flocculants on the overall performance of recycling waste lubricating oil to achieve a higher percentage recovery, flocculation efficacy, and better quality of recovered base oil. The findings reveal that with experimental conditions such as (i) mixing time of 80 min; (ii) agitation speed of 400 rpm; (iii) reaction temperature 50°C; (iv) solvent to waste oil ratio 3:1 g/g; and (v) flocculant dosage 1 g/ kg of solvents, 1‐butanol and sodium alginate gives highest percentage yield of 91% followed by corn starch of 89.10% and xanthan gum of 87.18% as bio‐polymer flocculant. The effects of various process parameters of bio‐flocculants on flocculation efficiency are expounded. With the process parameters of (i) initial pH of 5.9, 6.0, and 6.2; (ii) mixing time − 59, 60, and 63 min; and (iii) solution temperature of 59, 60, and 62.2°C, maximum flocculation efficacy (% sludge removal) of 16.24%, 13.01%, and 14.09% were attained for the cases of refined oil treated with sodium alginate, corn starch, and xanthan gum, respectively. Results also reveal that the physicochemical properties of refined base oil treated with 1‐butanol and sodium alginate as bio flocculant are almost close to the virgin lubricating oil. The optimum recovery of high‐quality base oil with the adoption of green technology and solvent–bio flocculant combination can mitigate the environmental impact of waste oil and create an energy‐efficient sustainable condition for the regeneration of re‐refined base oil.
Ultrasound‐Assisted Synthesis of Humic‐Silica Composites by the Isolation of Humic Substances from Peat and Lignite
Authors: Nieweś Dominik , Biegun Marcin , Marecka Kinga , Hoffmann Józef 
Published: February 2024

AbstractThe aim of the presented study was to evaluate an integrated, direct procedure for the synthesis of humic‐silica composites (HSiC) by the isolation of humic substances (HS) from peat and lignite by the use of sodium silicate solution as an extractant. The obtained materials, because of the presence of humic functional groups, may potentially be used for removing contaminants from aqueous solutions. The quantitative assessment was based on experiments designed according to the Box‐Behnken plan. The statistical analysis of the results allowed to determine the optimal conditions of the process tested, for which the isolation efficiency of humic substances (HS) was greater than 50 % for both raw materials. This made it possible to synthesize humic silica composites with a high content of HS, which have been qualitatively evaluated. This step was focused on the analysis of the humic structure using elemental analysis, spectroscopic methods, and differential thermal analysis coupled with thermogravimetry. On the basis of them, the presence of structures characteristic for HS in the HSiC tested was observed. Moreover, the results of the thermal analysis pointed to the higher thermal stability of the synthesized compounds, compared to the HS isolated with the use of a traditional extractant.
Effect of Cr Segregation on Mechanical Behavior and Deformation Mechanism of Ni─Co─Cr Alloy
Authors: Bai Zhiyuan , Chen Boyu , Zhang Jiayin , Liu Di , Lu Xuefeng , Yang Dan , Li Junchen , Guo Xin 
Published: February 2024

AbstractNi─Co alloys have attracted extensive attention from materials researchers in recent years because of their excellent properties. The effect of solute segregation on the properties of the alloy is studied by molecular dynamics simulation. The results show that the yield strength increases from 2.8 to 3.5 GPa when the solute atom Cr is introduced into the grain boundary. Under the action of stress, the disorder of segregation grain boundary is enhanced, which hinders the growth of grain, produces less layer fault structure, and the peak number of HCP (Hexagonal Close Packed) atom decreases from 50 000 to 37 000. The introduction of solute atoms provides a strong support for the grain boundary and has a similar skeleton structure, which improves the deformation resistance of the lattice. In addition, the improved grain boundary stability leads to the difficulty of nucleation of the dislocation, because the obstruction of the grain boundary makes it difficult to activate the dislocation source in the adjacent grain, and the maximum reduction of the perfect dislocation is 74%. In general, the microscopic mechanism of solute segregation strengthening is discussed from dislocation, phase structure, and energy, which provides guidance for plastic deformation of solid‐solution alloys.
SARS‐CoV‐2‐associated T‐cell infiltration in the central nervous system
Authors: Mohme Malte , Schultheiß Christoph , Piffko Andras , Fitzek Antonia , Paschold Lisa , Thiele Benjamin , Püschel Klaus , Glatzel Markus , Westphal Manfred , Lamszus Katrin , Matschke Jakob , Binder Mascha 
Published: February 2024

AbstractObjectivesInfection with severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) causes coronavirus disease 2019 (COVID‐19). Although an acute SARS‐CoV‐2 infection mainly presents with respiratory illness, neurologic symptoms and sequelae are increasingly recognised in the long‐term treatment of COVID‐19 patients. The pathophysiology and the neuropathogenesis behind neurologic complications of COVID‐19 remain poorly understood, but mounting evidence points to endothelial dysfunction either directly caused by viral infection or indirectly by inflammatory cytokines, followed by a local immune response that may include virus‐specific T cells. However, the type and role of central nervous system‐infiltrating T cells in COVID‐19 are complex and not fully understood.MethodsWe analysed distinct anatomical brain regions of patients who had deceased as a result of COVID‐19‐associated pneumonia or complications thereof and performed T cell receptor Vβ repertoire sequencing. Clonotypes were analysed for SARS‐CoV‐2 association using public TCR repertoire data.ResultsOur descriptive study demonstrates that SARS‐CoV‐2‐associated T cells are found in almost all brain areas of patients with fatal COVID‐19 courses. The olfactory bulb, medulla and cerebellum were brain regions showing the most SARS‐CoV‐2 specific sequence patterns. Neuropathological workup demonstrated primary CD8+ T‐cell infiltration with a perivascular infiltration pattern.ConclusionFuture research is needed to better define the relationship between T‐cell infiltration and neurological symptoms and its long‐term impact on patients' cognitive and mental health.
The TGFβ2‐Snail1‐miRNATGFβ2 Circuitry is Critical for the Development of Aggressive Functions in Breast Cancer
Authors: Luo Liyun , Xu Ning , Fan Weina , Wu Yixuan , Chen Pingping , Li Zhihui , He Zhimin , Liu Hao , Lin Ying , Zheng Guopei 
Published: February 2024

AbstractThere have been contradictory reports on the biological role of transforming growth factor‐βs (TGFβs) in breast cancer (BC), especially with regard to their ability to promote epithelial‐mesenchymal transition (EMT). Here, we show that TGFβ2 is preferentially expressed in mesenchymal‐like BCs and maintains the EMT phenotype, correlating with cancer stem cell‐like characteristics, growth, metastasis and chemo‐resistance and predicting worse clinical outcomes. However, this is only true in ERα− BC. In ERα+ luminal‐type BC, estrogen receptor interacts with p‐Smads to block TGFβ signalling. Furthermore, we also identify a microRNAs (miRNAs) signature (miRNAsTGFβ2) that is weakened in TGFβ2‐overexpressing BC cells. We discover that TGFβ2‐Snail1 recruits enhancer of zeste homolog‐2 to convert miRNAsTGFβ2 promoters from an active to repressive chromatin configuration and then repress miRNAsTGFβ2 transcription, forming a negative feedback loop. On the other hand, miRNAsTGFβ2 overexpression reverses the mesenchymal‐like traits in agreement with the inhibition of TGFβ2‐Snail1 signalling in BC cells. These findings clarify the roles of TGFβ2 in BC and suggest novel therapeutic strategies based on the TGFβ2‐Snail1‐miRNAsTGFβ2 loop for a subset type of human BCs.
Tri‐substituted 1,3,5‐triazine‐based analogs as effective HIV‐1 non‐nucleoside reverse transcriptase inhibitors (NNRTIs): A systematic review
Authors: Khalifa Zebabanu , Patel Amit B. 
Published: February 2024

AbstractNon‐nucleoside reverse transcriptase inhibitors (NNRTIs) have significantly impacted the HIV‐1 wild‐type due to their high specificity and superior potency. As well as different combinations of NNRTIs have been used on clinically approved combining highly active antiretroviral therapy (HAART) to resist the growth of HIV‐1 and decrease the mortality rate of HIV/AIDS. Although the feeble strength against the drug‐resistant mutant strains and the long‐term damaging effects have been reducing the effectiveness of HAART, it could be a crucial challenge to develop novel Anti‐HIV leads with a vital mode of action and the least side effects. The extensive chemical reactivity and the diverse chemotherapeutic applications of the 1,3,5‐triazine have provided a wide scope of research in medicinal chemistry via a structural modification. In this review, we focused on the Anti‐HIV profile of the tri‐substituted s‐triazine derivatives with structure‐based features and also discussed the active mode of action to evaluate the significant findings. The tri‐substituted 1,3,5‐triazine derivatives have been found more promising to inhibit the growth of the drug‐sensitive and drug‐resistant variants of HIV‐1, especially HIV‐1 wild‐type, HIV‐1 K103N/Y181C, and HIV‐1 Tyr181Cys. It has been observed that these derivatives have interacted with the enzyme protein residues via a significant ‐ interaction and hydrogen bonding to resist the proliferation of the viral genomes. Further, the SAR and the active binding modes are critically described and highlight the role of structural variations with functional groups along with the binding affinity of targeted enzymes, which may be beneficial for rational drug discovery to develop highly dynamic Anti‐HIV agents.
Submarine‐channel meandering reset by landslide filling, Taranaki Basin, New Zealand
Authors: Covault Jacob A. , Sylvester Zoltán , Dunlap Dallas B. 
Published: February 2024

AbstractLandslides are among the largest mass movements on Earth. As such, the deposits of landslides, also known as mass‐transport deposits, are significant architectural elements of continental margins, especially those receiving sediment from large deltas. Landslide dams have been shown to alter the courses of rivers and submarine channels. However, there are fewer examples of landslides completely filling submarine channels and examples of the subsequent stratigraphic evolution. A three‐dimensional seismic‐reflection dataset (<90 Hz) from the deep‐water (>1500 m) Taranaki Basin, offshore the North Island of New Zealand, was used to explore the response of a sequence of channel deposits to landslide filling. The basal channel system initially meandered like a river, with successive channel positions in close proximity, as it aggraded >250 ms two‐way travel time. This systematic, organised evolution is governed by the memory of early channel evolution, which sets the sea floor geomorphology that guides channel‐forming turbidity currents. Later, a channel approximately twice as wide as underlying channels cut off a number of channel bends, probably as a result of an increase in the discharge of channel‐forming turbidity currents. This last channel was filled with submarine landslides, which transported and deposited sediment as debris flows based on the presence of blocks within a matrix comprising chaotic, lower amplitude seismic facies. These debris‐flow deposits smoothed over the sea floor, effectively wiping the memory of channel evolution. As a result, the subsequent channel pattern bears no resemblance to the basal system. Submarine‐channel resetting by landslide filling is common in settings with frequent catastrophic basin‐margin collapses, like offshore New Zealand.
Exploring the application of dual‐energyCTto discriminate sediment facies in a varved sequence
Authors: Martini M. , Francus P. , Di Schiavi Trotta L. , Letellier P. , Des Roches M. , Després P. 
Published: February 2024

AbstractDual‐energy X‐ray computed tomography consists of imaging objects using two incident X‐ray beams of different energy to distinguish the different compounds within a sample based on their density (electron density,ρe) and elemental composition (effective atomic number,Zeff). The stoichiometric calibration for dual‐energy X‐ray computed tomography was already successfully implemented to identify single and homogeneous minerals easily and non‐destructively. It is here applied for the first time to a more complex and heterogeneous sample, a varved sediment core with three distinct facies. The output of dual‐energy X‐ray computed tomography was compared against elemental geochemistry obtained at the same resolution using a micro‐XRF core scanner. The three individual facies can be successfully differentiated using dual‐energy X‐ray computed tomography because their range ofρeandZeffvalues allow their discrimination. Correlations with elemental geochemistry are also discussed but are less conclusive, probably because of variations in grain size and porosity, and because these high resolution analyses were not performed at the exact same location. The paper not only eventually discusses the limitations when using dual‐energy X‐ray computed tomography on sediments but also demonstrates its potential to quantitatively study sediment cores in a non‐destructive way.
Transcatheter aortic valve replacement in heart failure
Authors: Parikh Puja B. , Mack Michael , Stone Gregg W. , Anker Stefan D. , Gilchrist Ian C. , Kalogeropoulos Andreas P. , Packer Milton , Skopicki Hal A. , Butler Javed 
Published: February 2024

ABSTRACTPatients with severe aortic stenosis (AS) may develop heart failure (HF), the presence of which has traditionally been deemed as a final stage in AS progression with poor outcomes. The use of transcatheter aortic valve replacement (TAVR) has become the preferred therapy for most patients with AS and concomitant HF. With its instant afterload reduction, TAVR offers patients with HF significant haemodynamic benefits, with corresponding changes in left ventricular structure and improved mortality and quality of life. The prognostic covariates and optimal timing of TAVR in patients with less than severe AS remain unclear. The purpose of this review is to describe the association between TAVR and outcomes in patients with HF, particularly in the setting of left ventricular systolic dysfunction, acute HF, and right ventricular systolic dysfunction, and to highlight areas for future research.
Changes in spinal motor behaviour are associated with reduction in disability in chronic low back pain: A longitudinal cohort study with 1‐year follow‐up
Authors: Christe Guillaume , Benaim Charles , Jolles Brigitte M. , Favre Julien 
Published: February 2024

AbstractBackgroundThe need to improve spinal motor behaviour in chronic low back pain (CLBP) rehabilitation remains unclear. The objective of this study was to test if changes in spinal motor behaviour were associated with changes in disability after an interdisciplinary rehabilitation program (IRP) in patients with CLBP.MethodsSeventy‐one patients with CLBP participating in an IRP were included. Spinal motor behaviour was assessed with biomechanical (lumbar angular amplitude and velocity, erector spinae muscle activity and duration of the task), cognitive‐emotional (task‐specific fear [PRF]) and pain‐related (movement‐evoked pain [MEP]) measures during a lifting task before and after the IRP. Disability was measured before and after the IRP, and at 3‐month and 1‐year follow‐ups.ResultsAfter adjusting for confounders, changes in disability were significantly associated with MEP changes (β adj. = 0.49, p < 0.001) and PRF changes (β adj. = 0.36, p = 0.008), but not with changes in any of the biomechanical measures. MEP at the end of IRP was also associated with disability at 3 months (β adj. = 0.37, p = 0.001) and 1 year (β adj. = 0.42, p = 0.01). Biomechanical measures at the end of the IRP were not associated with disability, except for the duration of the task that was significantly associated with reduction of disability at 3 months (β non‐adj = 0.5, p < 0.001).ConclusionsPain‐related and cognitive‐emotional measures of spinal motor behaviour were associated with reduction in disability following an IRP. Future research is needed to further investigate causal relationships between spinal motor behaviour and disability.Significance statementThis study supports a multidimensional understanding and analysis of spinal motor behaviour, integrating the cognitive‐emotional, pain‐related and biomechanical domains. It also supports the consideration of spinal motor behaviour as a potentially important treatment target in chronic low back pain management. Moreover, it suggests that reducing movement‐evoked pain and task‐specific fear may have more influence on disability than changing lumbar amplitude, lumbar angular velocity or erector muscle activity, which may have important implications for rehabilitation.
Maximal and submaximal intended velocity squat sets: Do they selectively impact mechanical performance in paired multijoint upper‐body exercise sets?
Authors: Janicijevic Danica , Miras‐Moreno Sergio , Morenas‐Aguilar Maria Dolores , Baena‐Raya Andrés , Weakley Jonathon , García‐Ramos Amador 
Published: February 2024

AbstractThis study aimed to investigate how squat protocols performed at maximal and submaximal intended velocities during interset periods of paired upper‐body exercises that impact the mechanical performance of these multijoint upper‐body exercises. Twenty‐one young and healthy adults (seven women) completed three experimental sessions, each comprising four sets of five repetitions at 75% of their 1‐repetition maximum, with a 4‐min break between sets using the bench press and bench pull exercises. The experimental sessions differed in the protocol utilized during the interset periods: (i) Passive—no physical exercise was performed; (ii) SQfast—5 repetitions of the squat exercise at maximal intended velocity against the load associated with a mean velocity (MV) of 0.75 m s−1; and (iii) SQslow—5 repetitions of the squat exercise at submaximal velocity (intended MV of 0.50 m s−1) against the load associated with an MV of 0.75 m s−1. Level of significance was p ≤ 0.05. The main findings revealed negligible differences (effect size [ES] < 0.20) among the exercise protocols (passive vs. SQfast vs. SQslow) for all mechanical variables during the bench pull, whereas during the bench press, small differences (ES from 0.23 to 0.31) emerged favoring the passive protocol over SQfast and SQslow in terms of mean set velocity and fastest MV of the set. The absence of significant differences between the SQfast and SQslow protocols, irrespective of the particular upper‐body exercise, implies that the intended lifting velocity does not influence the potential interference effect during paired set training procedures.
Adalimumab exhibits superiority over etanercept in terms of a numerically higher response rate and equivalent adverse events: A real‐world finding
Authors: Yu Zhe , Gao Ling , Zang Yinshan , Cheng Lu , Gao Wenjia , Xu Yan 
Published: February 2024

AbstractIntroductionAdalimumab (ADA) and etanercept (ETN) are the most commonly applied biologics for rheumatoid arthritis (RA) management in China; however, the evidence regarding their superiority is controversial. In addition, in real‐world clinical settings, many factors may affect the application of these agents, such as dosage and administration period. Therefore, the present real‐world study aimed to compare the efficacy and safety of ADA and ETN treatment in RA patients via the propensity score matching method.MethodsIn total, 105 RA patients receiving ADA (n = 66) or ETN (n = 39) were reviewed in this retrospective study. The propensity score matching method was used to eliminate discrepancies in baseline features. Clinical response, low disease activity (LDA), and remission were evaluated based on the DAS28.ResultsBefore propensity score matching, compared with ETN, ADA yielded higher rates of clinical response at W24 (97.0% vs. 84.6%, p = .021), LDA at W12 (78.8% vs. 51.3%, p = .003), and remission at W24 (75.8% vs. 46.2%, p = .002). After propensity score matching, compared with ETN, ADA only achieved a higher rate of clinical response at W24 (96.3% vs. 77.8%, p = .043), whereas the rates of LDA and remission were not different between ADA and ETN treatments at any time point (all p > .05). In addition, the incidence of adverse events was not significantly different between the ADA and ETN treatments (all p > .05).ConclusionADA shows superiority over ETN in terms of a numerically greater response rate and equivalent adverse events.