bluuebunny/crossref_metadata_2025_split huggingface dataset:
Shape‐Morphing Liquid‐Crystal polymers
Authors: Zhang Dachuan , Yuan Chenrui , Zhou Yang , Wu Si 
Published: May 2023

AbstractLiquid‐crystal polymers are a type of representative material combining the order‐disorder transition of liquid crystals and the superior properties of polymers. The phase transition from the liquid‐crystal phase to the isotropic state of mesogens causes large, controllable, and reversible deformation of polymers; thus, liquid‐crystal polymers have emerged as one of the most valuable candidates for shape‐morphing materials. Therefore, this review will focus on the recent development of shape‐morphing liquid‐crystal polymers, including the modes of energy conversions, material design strategies and further applications. In the main, novel material design methods and a wide range of application of shape‐morphing liquid‐crystal polymers are discussed.
Divergent Synthesis of Stachyurin and Casuarinin Focusing on C‐Glycosidic Bond Reactivity
Authors: Kusuki Reina , Murakami Kei , Katsuta Ryo , Ishigami Ken , Wakamori Shinnosuke 
Published: May 2023

AbstractStachyurin and casuarinin are ellagitannins, a class of polyphenols that exhibit various biological activities that have an impact on human health. Casuarinin is a stachyurin stereoisomer. These compounds contain the characteristic C‐glycosidic bond between the open‐chain d‐glucose and the phenol aromatic ring. Therefore, chemical elucidation of the C‐glycosidic bond reactivity is required to exploit their multiple bioactivities. This study developed a method for the divergent synthesis of stachyurin and casuarinin via the α‐selective C‐glycosylation as well as the β‐selective introduction of the oxygen functional group, focusing on structural specificity. The proposed method applies to the syntheses of stachyurin and casuarinin analogues, thereby facilitating the utilisation of their beneficial bioactivities.
Push‐Pull Bridged Distyrylbenzene with Highly Bright Solid‐State Red‐Orange Aggregation‐Induced Emission
Authors: Shimomura Yoshimichi , Konishi Gen‐ichi 
Published: May 2023

AbstractMultiple emission colors in solid‐state organic fluorophores with the same main skeleton are essential for improving the performance of light‐emitting devices/materials. Specifically, emission in the red/near‐infrared region is of great importance in the biological field. Previously, we developed di‐bridged‐distyrylbenzeneDBDB[7]with high‐brightness solid‐state blue and aggregation‐induced emissions (AIE) by introducing the bridging structures of a seven‐membered ring into the vinylene groups of distyrylbenzene (DSB). Herein, we synthesizeMNDBDMeODB[7](1), which features substituted methoxy and malononitrile groups as donor and acceptor groups, respectively, inDBDB[7]. In solvents more polar than THF,MNDSDMeOB(3), which has the same main skeleton as1but without bridges, shows no emission in the solid state, whereas1exhibits highly bright red‐orange emission in the solid state owing to the suppression of intermolecular electronic interactions by the bridges and the AIE property. We also synthesizeMNDSD(EHO)B(2) in which the methoxy groups of3are replaced by ethylhexyloxy groups, thus disrupting the crystallinity of the molecule.2exhibits positive fluorescence solvatochromism and has a high fluorescence quantum yield in the solid state as a red‐emittingDSBderivative. The solid‐state emission properties of1and2will improve the applicability ofDSBs and functionalities of light‐emitting devices/materials.
Image‐Based Flow Regime Recognition in Aerated Stirred Tanks Using Deep Transfer Learning
Authors: Khaydarov Valentin , Becker Marc Philipp , Urbas Leon 
Published: May 2023

AbstractMonitoring of flow regimes in aerated stirred tanks is important to ensure energy efficiency and product quality. The use of deep learning models for the recognition of flow regimes shows promising results. However, such models require a large amount of data for training. The aim of this paper is to apply the deep transfer learning approach to address this challenge. We compare various pre‐trained models with the differential learning rate and 2‐step transfer learning approaches to analyse the resultant model performance. We also investigate the effect of the dataset size on the classification accuracy.
Pharmacokinetics and Pharmacodynamics of Lansoprazole/Sodium Bicarbonate Immediate‐release Capsules in Healthy Chinese Subjects: An Open, Randomized, Controlled, Crossover, Single‐, and Multiple‐dose Trial
Authors: Yu Lixiu , Zhai Xuejia , Wu Sanlan , Cao Peng , Deng Yahui , Yang Quancheng , Zhang Qilin , Wu Jiancai , Deng Yue , Liu Qiaoling , Zhang Yu 
Published: May 2023

AbstractProton pump inhibitors (PPIs) differ in onset of action and bioavailability. This trial was conducted to investigate the pharmacokinetics and pharmacodynamics of an immediate‐release capsule formulation containing lansoprazole 30 mg and sodium bicarbonate 1100 mg (T preparation) in healthy Chinese subjects. This was an open, single‐center, randomized, single and multiple oral doses, and two‐period crossover study in 30 healthy subjects. After single‐ and multiple‐dose oral administration, blood samples were obtained and lansoprazole concentration in serum was measured for pharmacokinetic analysis. Meanwhile, the intragastric pH was monitored continuously to evaluate the pharmacodynamics of the investigational drugs. The Tmax of the T preparation was 0.5 hours, while the Tmax of the R preparation was 1.5 hours after multiple doses, which indicated that the absorption speed of the T preparation was significantly faster than that of the R preparation. The same characteristics also existed after single‐dose administration. The area under the curve (AUC)ss of the T preparation was bio‐equivalent to that of the R preparation under steady state. The time percentage of intragastric pH > 4.0 for the T preparation was higher than that of the R preparation after 1 hour for both single‐ and multiple‐dose. It suggested compared with R preparation, the time percentage of intragastric pH > 4.0 met the criteria for superiority after 1 hour administration for the T preparation. In addition, no serious adverse events occurred in this study. Across this study, the T preparation was better than the R preparation at improving drug absorption and increasing intragastric pH, and had a favorable safety profile.
Catalytic Deactivation and Regeneration of Nickel Microparticles in a Home‐Built Microchannel‐Coupled Millireactor: Substrate Specificity and Multiphase Flow Dependency
Authors: Jaiswal Pooja , Yogeshwar Prerna , Guha Biswas Koushik , Panda Debashis 
Published: May 2023

AbstractSubstrate‐assisted product desorption often proposed in heterogeneous catalysis (nanozymes) denounces the catalytic deactivation of these catalysts. On the contrary, the catalytic deactivation of rigid heterogeneous catalyst becomes noticeable in a continuous flow reactor. Surprisingly, it has been addressed inadequately and in an isolated manner. In this study, we have developed a cost‐effective non‐lithographic method for the fabrication of a PDMS‐based microchannel‐coupled‐millreactor. Immobilized nickel particles are resistant to leaching in the flow process. During continuous operation, millireactors show a strong catalytic activity for reduction of resazurin and p‐nitrophenol with a conversion rate of almost 100 %. Catalytic poisoning is ubiquitous and gets gradually prominent whereas complete catalytic deactivation of magnetic Ni‐microparticles is found to be an instantaneous process. Relatively large‐sized resorufin binds predominantly to the surface and thereby blocks the access of the substrate to the Ni‐particles. The dissociations of product molecules ‐ resorufin and p‐aminophenol are the rate‐limiting steps that caused the abrupt deactivation of Ni‐microparticle. The kinetic mechanism of heterogeneous derived from the Langmuir‐Hinshelwood mechanism satisfactorily explains the catalytic poisoning and deactivation of nickel microparticles. This study sheds light on the intricacies of catalytic activity and poisoning of magnetic nickel microparticles.
Anti‐Tumoural [NHC(thiolato)] Gold(I) Complexes Derived from HIF‐1α Inhibitor AC1‐004 Target the Mitochondrial Redox System and Show Antiangiogenic Effects in vivo
Authors: Schleser Sebastian W. , Köhler Leonhard H. F. , Riethmüller Florian , Reich Sebastian , Fertig Robin , Schlotte Luca , Seib Jonathan , Goller Alexander , Begemann Gerrit , Kempe Rhett , Schobert Rainer 
Published: May 2023

AbstractAC1‐004 is a potent inhibitor of the hypoxia‐inducible factor alpha (HIF‐1α) pathway, essential for tumour growth, angiogenesis and metastasis. We modelled a series of gold(I) complexes on AC1‐004, retaining its 5‐carboalkoxybenzimidazole as an NHC ligand while replacing its 2‐aryloxymethyl residue with modified thiolato gold(I) fragments. The intention was to augment a potential HIF‐1α inhibition by conducive effects typical of NHC gold complexes, such as an inhibition of tumoural thioredoxin reductase (TrxR), an increase in reactive oxygen species (ROS), and cytotoxic and antiangiogenic effects. We report on the synthesis and biological effects of twelve such N,N’‐dialkylbenzimidazol‐2‐ylidene gold(I) complexes, obtained in average yields of 65 % for the thiophenolato and 45 % for the novel 4‐(adamant‐2‐yl)benzenethiol complexes. The structure of one complex was validated via single‐crystal X‐ray diffraction. Structure‐activity relationships (SAR) were derived by variation of the N‐substituents (Me, Et, iPr, pentyl, Bn) and the thiolato ligand. Their cytotoxicity against various human cancer cell lines of different entities reached IC50 values in the single‐digit micromolar range. The complexes were also assayed for the induction of tumour cell apoptosis (activation of caspase‐3/7), TrxR inhibition and antiangiogenic effects in zebrafish. Cyclopropene‐bearing congeners were employed in click reactions to examine the subcellular accumulation of the complexes.
Optimization of Large‐Scale Adeno‐Associated Virus (AAV) Production
Authors: Bilal Alina S. , Parker Sarah N. , Murray Victoria B. , MacDonnell Lauren F. , Thuerauf Donna J. , Glembotski Christopher C. , Blackwood Erik A. 
Published: May 2023

AbstractGenetic manipulation in vivo is a critical method for mechanistically understanding gene function in disease and physiological processes. To facilitate this, embryonic transgenesis in popular animal models like mice has been developed. Compared to the longer, expensive methods of transgenesis, viral vectors, such as adeno‐associated virus (AAV), have grown increasingly in popularity due to their relatively low cost and ease of production, translating to an overall greater versatility as a biological tool. In this article, we describe protocols for AAV production and purification for efficient transduction in vivo. Importantly, our method differs from others in application of a streamlined, more cost‐effective approach. From this method, as many as 2 × 1013 genome‐containing viral particles (vp), or 200 units, can be produced within 3 to 4 weeks, with a minimal cost of $1800 to $2000 for supplies and reagents and <15 hr of personnel time per week. A unit here is defined as 1 × 1011 vp, our standard dose of AAV per animal, injected via tail vein. Therefore, our method provides production and purification of AAV in quantities capable of transducing up to 200 animals. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: AAV productionBasic Protocol 2: AAV purification
Identification of potential targets against SARS‐CoV‐2 of antiviral drugs based on photoaffinity probes
Authors: Ma Yuexiang , Wang Jin , Pan Xiaoyan , Zhang Jie , Shan Yuanyuan 
Published: May 2023

AbstractFacing the sudden outbreak of coronavirus disease 2019 (COVID‐19), it is extremely urgent to develop effective antiviral drugs against severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2). Drug repurposing is a promising strategy for the treatment of COVID‐19. To identify the precise target protein of marketed medicines, we initiate a chemical biological program to identify precise target of potential antivirus drugs. In this study, two types of recombinant human coronavirus SARS‐CoV‐2 RdRp protein capturing probes with various photoaffinity labeling units were designed and synthesized based on the structure of FDA‐approved drugs stavudine, remdesivir, acyclovir, and aladenosine. Fortunately, it was found that one novel photoaffinity probe, RD‐1, could diaplayed good affinity with SARS‐CoV‐2 RdRp around the residue ARG_553. In addition, RD‐1 probe also exhibited potent inhibitory activity against 3CLpro protease. Taken together, our findings will elucidate the structural basis for the efficacy of marketed drugs, and explore a rapid and efficient strategy of drug repurposing based on the identification of new targets. Moreover, these results could also provide a scientific basis for the clinical application of marketed drugs.
New pyrrole derivatives as DNA gyrase and 14α‐demethylase inhibitors: Design, synthesis, antimicrobial evaluation, and molecular docking
Authors: Hilmy Khaled M. H. , Kishk Fawzya N. M. , Shahen Esmat B. A. , Sobh Eman A. , Hawata Mohamed A. 
Published: May 2023

AbstractAn efficient one‐pot reaction utilizing readily available chemical reagents was used to prepare novel 2‐amino‐1,5‐diaryl‐1H‐pyrrole‐3‐carbonitrile derivatives and the structures of these compounds were validated by spectroscopic data and elemental analyses. All the synthetic compounds were evaluated for their antimicrobial activities (MZI assay). The tested compounds proved high activities on Staphylococcus aureus (Gram‐positive bacteria) and Candida albicans (Pathogenic fungi). However, they did not show any activity on Escherichia coli (Gram‐negative bacteria). The most effective compounds in MZI assay 7c, 9a, 9b, 11a, and 11b were selected to determine their MIC on S. aureus and C. albicans. Furthermore, DNA gyrase and 14‐α demethylase inhibitory assays were performed to study the inhibitory activities of 7c, 9a, 9b, 11a, and 11b. The results illustrated that compound 9b was the most DNA gyrase inhibitor (IC50 of 0.0236 ± 0.45 µM, which was 1.3‐ fold higher than gentamicin reference IC50 values of 0.0323 ± 0.81 µM). In addition, compound 9b demonstrated the highest 14‐α demethylase inhibitory effect with IC50 of 0.0013 ± 0.02 µM, compared to ketoconazole (IC50 of 0.0008 ± 0.03 µM) and fluconazole (IC50 of 0.00073 ± 0.01 µM), as antifungal reference drugs. Lastly, docking studies were performed to rationalize the dual inhibitory activities of the highly active compounds on both DNA gyrase and 14‐α demethylase enzymes.
A pilot randomized controlled trial of transdiagnostic network‐informed personalized treatment for eating disorders versus enhanced cognitive behavioral therapy
Authors: Butler Rachel M. , Ortiz Anna Marie L. , Pennesi Jamie‐Lee , Crumby Emma K. , Cusack Claire E. , Levinson Cheri A. 
Published: May 2023

AbstractObjectiveEating disorders (EDs) are serious mental illnesses with high mortality and relapse rates and carry significant societal and personal costs. Nevertheless, there are few evidence‐based treatments available. One aspect that makes treatment difficult is the high heterogeneity in symptom presentation. This heterogeneity makes it challenging for clinicians to identify pertinent treatment targets. Personalized treatment based on idiographic models may be well‐suited to address this heterogeneity, and, in turn, presumably improve treatment outcomes.MethodsIn the current randomized controlled trial, participants will be randomly assigned to either 20 sessions of enhanced cognitive behavioral therapy (CBT‐E) or transdiagnostic network‐informed personalized treatment for EDs (T‐NIPT‐ED). Assessment of ED symptoms, clinical impairment, and quality of life will occur at pre‐, mid‐, posttreatment, and 1‐month follow‐up.ResultsWe will examine the acceptability and feasibility of T‐NIPT‐ED compared to CBT‐E. We also will test the initial clinical efficacy of T‐NIPT‐ED versus CBT‐E on clinical outcomes (i.e., ED symptoms and quality of life). Finally, we will test if the network‐identified precision targets are the mechanisms of change.DiscussionUltimately, this research may inform the development and dissemination of evidence‐based personalized treatments for EDs and serve as an exemplar for personalized treatment development across the broader field of psychiatry.Public SignificanceCurrent evidence‐based treatments for eating disorders result in low rates of recovery, especially for adults with AN. Our study aims to test the feasibility, acceptability, and clinical efficacy of a data‐driven, individualized approach to ED treatment, network‐informed personalized treatment, compared to the current evidence‐based treatment for EDs, Enhanced CBT. Findings have the potential to improve treatment outcomes for EDs by identifying and targeting core symptoms maintaining EDs.
Pd‐Catalysed Diastereoselective Synthesis of aza‐Spirocyclic P‐Stereogenic Phosphine Oxides
Authors: Zhang Bin , Zhang Xiao‐Ming , Zhang Qing‐Wei 
Published: May 2023

AbstractPhosphine oxides and spirocyclic compounds are privileged molecules widely employed in a variety of catalytic transformations either as chiral ligands for metals or bifunctional organocatalysts. Herein, we developed a Pd‐catalysed cross‐coupling reaction to synthesize spirocyclic amino‐phosphine oxides with a P‐stereogenic centre which could serve as potential P*(O), N‐ligands or organocatalysis.
Feasibility of diffusion‐tensor and correlated diffusion imaging for studying white‐matter microstructural abnormalities: Application in COVID‐19
Authors: Teller Nick , Chad Jordan A. , Wong Alexander , Gunraj Hayden , Ji Xiang , Goubran Maged , Gilboa Asaf , Roudaia Eugenie , Sekuler Allison , Churchill Nathan , Schweizer Tom , Gao Fuqiang , Masellis Mario , Lam Benjamin , Heyn Chris , Cheng Ivy , Fowler Robert , Black Sandra E. , MacIntosh Bradley J. , Graham Simon J. , Chen J. Jean 
Published: May 2023

AbstractThere has been growing attention on the effect of COVID‐19 on white‐matter microstructure, especially among those that self‐isolated after being infected. There is also immense scientific interest and potential clinical utility to evaluate the sensitivity of single‐shell diffusion magnetic resonance imaging (MRI) methods for detecting such effects. In this work, the performances of three single‐shell‐compatible diffusion MRI modeling methods are compared for detecting the effect of COVID‐19, including diffusion‐tensor imaging, diffusion‐tensor decomposition of orthogonal moments and correlated diffusion imaging. Imaging was performed on self‐isolated patients at the study initiation and 3‐month follow‐up, along with age‐ and sex‐matched controls. We demonstrate through simulations and experimental data that correlated diffusion imaging is associated with far greater sensitivity, being the only one of the three single‐shell methods to demonstrate COVID‐19‐related brain effects. Results suggest less restricted diffusion in the frontal lobe in COVID‐19 patients, but also more restricted diffusion in the cerebellar white matter, in agreement with several existing studies highlighting the vulnerability of the cerebellum to COVID‐19 infection. These results, taken together with the simulation results, suggest that a significant proportion of COVID‐19 related white‐matter microstructural pathology manifests as a change in tissue diffusivity. Interestingly, different b‐values also confer different sensitivities to the effects. No significant difference was observed in patients at the 3‐month follow‐up, likely due to the limited size of the follow‐up cohort. To summarize, correlated diffusion imaging is shown to be a viable single‐shell diffusion analysis approach that allows us to uncover opposing patterns of diffusion changes in the frontal and cerebellar regions of COVID‐19 patients, suggesting the two regions react differently to viral infection.
Photobiomodulation increases uprighting tooth movement and modulates IL‐1β expression during orthodontically bone remodeling
Authors: Murakami‐Malaquias‐Silva Felipe , Perim Rosa Ellen , Malavazzi Tainá Caroline Santos , Silva Tamiris , de Santana Sarmento Dmitry José , Garcez Aguinaldo Silva , Fernandes Marcella Ueda R. , Tortamano Andre , Ramalho Karen Muller , Motta Lara Jansiski , Fernandes Kristianne Porta Santos , Bussadori Sandra Kalil , Mesquita‐Ferrari Raquel Agnelli , Horliana Anna Carolina Ratto Tempestini 
Published: May 2023

AbstractThis study investigated the effects of photobiomodulation (PBM) in acceleration of orthodontic movement of inferior molar uprighting movement. Thirty‐four individuals, with indication of molar uprighting movement for oral rehabilitation, were randomly divided in two groups: verticalization + PBM (808 nm, 100 mW, 1 J per point, 10 points and 25 J/cm2) or verticalization + PBM simulation. Elastomeric chain ligatures were changed every 30 days for 3 months. FBM was performed immediately, 24 h, 72 h, 1 and 2 months after activation. The primary outcome was the amount of uprighting movement. Secondary outcomes were pain, amount of medication, OHIP‐14 questionnaire, and cytokine IL‐1β. PBM group increase uprighting movement when compared to control after 3 months and modulate IL‐1β expression. For pain control, the amount of medication and OHIP‐14 no difference were found. This study suggests that PBM accelerates tooth movement during molar uprighting, due to modulation of IL‐1β during bone remodeling.
Valley morphology and Quaternary seismic stratigraphy of the Manicouagan impact crater lake (Eastern Canada)
Authors: Lenz Kai‐Frederik , Gebhardt Andrea Catalina , Lajeunesse Patrick , Lohrberg Arne , Gross Felix , Krastel Sebastian 
Published: May 2023

ABSTRACTLakes in formerly glaciated regions can provide valuable paleoclimate archives. Lake Manicouagan (Manikuakan, according to Innu toponymy), formed in the basin of the ~214‐Ma Manicouagan impact crater of eastern Québec, is a key area for reconstructing long‐term environmental change, as it was directly affected by the Pleistocene glaciations and the waxing and waning of the Laurentide Ice Sheet. Here, we present high‐resolution seismic data revealing an overdeepened bedrock valley filled with a sedimentary sequence. We assess its potential to serve as a paleoclimate archive. The varying shape of the overdeepened valley indicates complex erosional processes. A lower narrow V‐shaped gorge is indicative of either pressurized subglacial meltwater or pre‐Quaternary fluvial erosion, or a combination of both. Three scenarios are discussed regarding deposition of the sedimentary sequence: (i) deposition only during and after retreat of the last glacial episode; (ii) deposition during multiple glacial–interglacial cycles; and (iii) deposition mainly during a subglacial lake stage. We suggest subglacial followed by proglacial sedimentation as the most probable scenario for deposition of the sedimentary succession. We recommend considering the sediments of Lake Manicouagan as a paleoclimate archive reaching back at least to 7.5 ka, but the lake also probably contains sediments deposited before the last deglacial period.