bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nongenetic Optical Modulation of Pluripotent Stem Cells Derived Cardiomyocytes Function in the Red Spectral Range
Authors: Ronchi Carlotta , Galli Camilla , Tullii Gabriele , Marzuoli Camilla , Mazzola Marta , Malferrari Marco , Crasto Silvia , Rapino Stefania , Di Pasquale Elisa , Antognazza Maria Rosa 
Published: November 2023

AbstractOptical stimulation in the red/near infrared range recently gained increasing interest, as a not‐invasive tool to control cardiac cell activity and repair in disease conditions. Translation of this approach to therapy is hampered by scarce efficacy and selectivity. The use of smart biocompatible materials, capable to act as local, NIR‐sensitive interfaces with cardiac cells, may represent a valuable solution, capable to overcome these limitations. In this work, a far red‐responsive conjugated polymer, namely poly[2,1,3‐benzothiadiazole‐4,7‐diyl[4,4‐bis(2‐ethylhexyl)−4H‐cyclopenta[2,1‐b:3,4‐b’]dithiophene‐2,6‐diyl]] (PCPDTBT) is proposed for the realization of photoactive interfaces with cardiomyocytes derived from pluripotent stem cells (hPSC‐CMs). Optical excitation of the polymer turns into effective ionic and electrical modulation of hPSC‐CMs, in particular by fastening Ca2+dynamics, inducing action potential shortening, accelerating the spontaneous beating frequency. The involvement in the phototransduction pathway of Sarco‐Endoplasmic Reticulum Calcium ATPase (SERCA) and Na+/Ca2+exchanger (NCX) is proven by pharmacological assays and is correlated with physical/chemical processes occurring at the polymer surface upon photoexcitation. Very interestingly, an antiarrhythmogenic effect, unequivocally triggered by polymer photoexcitation, is also observed. Overall, red‐light excitation of conjugated polymers may represent an unprecedented opportunity for fine control of hPSC‐CMs functionality and can be considered as a perspective, noninvasive approach to treat arrhythmias.
Metal–Organic Frameworks for the Enhancement of Lithium‐Based Batteries: A Mini Review on Emerging Functional Designs
Authors: Mu Anthony U. , Cai Guorui , Chen Zheng 
Published: November 2023

AbstractMetal–organic frameworks (MOFs) have played a crucial role in recent advancements in developing lithium‐based battery electrolytes, electrodes, and separators. Although many MOF‐based battery components rely on their well‐defined porosity and controllable functionality, they also boast a myriad of other significant properties relevant to battery applications. In this mini‐review, the distinct advantages of MOFs in battery applications are discussed, including using MOFs to 1) scavenge impurities to increase cycling stability, 2) widen the operation temperature range of conventional electrolytes, 3) widen the operation voltage range of common electrolytes, and 4) employ as artificial solid‐electrolyte interphases to prevent lithium dendrite growth. Furthermore, subsisting challenges of developing these emerging MOF‐based battery technologies are discussed and guidance for shaping the future of this field is given.
Control of Properties through Hydrogen Bonding Interactions in Conjugated Polymers
Authors: Wan Qingpei , Thompson Barry C. 
Published: November 2023

AbstractMolecular design is crucial for endowing conjugated polymers (CPs) with unique properties and enhanced electronic performance. Introducing Hydrogen‐bonding (H‐bonding) into CPs has been a broadly exploited, yet still emerging strategy capable of tuning a range of properties encompassing solubility, crystallinity, electronic properties, solid‐state morphology, and stability, as well as mechanical properties and self‐healing properties. Different H‐bonding groups can be utilized to tailor CPs properties based on the applications of interest. This review provides an overview of classes of H‐bonding CPs (assorted by the different H‐bond functional groups), the synthetic methods to introduce the corresponding H‐bond functional groups and the impact of H‐bonding in CPs on corresponding electronic and materials properties. Recent advances in addressing the trade‐off between electronic performance and mechanical durability are also highlighted. Furthermore, insights into future directions and prospects for H‐bonded CPs are discussed.
The farmer and the fates: Locus of control and investment in rainfed agriculture
Authors: Malacarne J. G. 
Published: November 2023

AbstractVulnerable households, often the target for efforts to increase resilience, likely hold beliefs about their ability to control outcomes that make them less likely to invest in new technologies. Locus of control provides one way to elicit these beliefs and can help identify populations requiring additional support prior to widespread adoption of new technologies. This paper presents evidence from a large sample of maize‐producing households in Mozambique and Tanzania. A more external locus of control is strongly associated with lower expected returns to improved maize varieties and a reduced probability of their adoption.
Mobility‐Modulated Sequential Dissociation Analysis Enables Structural Lipidomics in Mass Spectrometry Imaging
Authors: Qian Yao , Guo Xiangyu , Wang Yunfang , Ouyang Zheng , Ma Xiaoxiao 
Published: November 2023

AbstractSpatial lipidomics based on mass spectrometry imaging (MSI) is a powerful tool for fundamental biology studies and biomarker discovery. But the structure‐resolving capability of MSI is limited because of the lack of multiplexed tandem mass spectrometry (MS/MS) method, primarily due to the small sample amount available from each pixel and the poor ion usage in MS/MS analysis. Here, we report a mobility‐modulated sequential dissociation (MMSD) strategy for multiplex MS/MS imaging of distinct lipids from biological tissues. With ion mobility‐enabled data‐independent acquisition and automated spectrum deconvolution, MS/MS spectra of a large number of lipid species from each tissue pixel are acquired, at no expense of imaging speed. MMSD imaging is highlighted by MS/MS imaging of 24 structurally distinct lipids in the mouse brain and the revealing of the correlation of a structurally distinct phosphatidylethanolamine isomer (PE 18 : 1_18 : 1) from a human hepatocellular carcinoma (HCC) tissue. Mapping of structurally distinct lipid isomers is now enabled and spatial lipidomics becomes feasible for MSI.
Herstellung von biobasiertem Ethylbenzol durch Kaskaden‐Biokatalyse mit einer speziell entwickelten Photodecarboxylase
Authors: Qin Zhaoyang , Zhou Yi , Li Zhi , Höhne Matthias , Bornscheuer Uwe T. , Wu Shuke 
Published: November 2023

AbstractDie Herstellung von chemischen Grundstoffen wie Benzol, Toluol, Ethylbenzol und Xylol (BTEX) aus erneuerbaren Ressourcen ist der Schlüssel zu einer nachhaltigen Gesellschaft. Die Biokatalyse ermöglicht die Ein‐Topf‐Mehrschritt‐Transformation von Bioressourcen unter milden Bedingungen, ist jedoch oft auf Biochemikalien beschränkt. Wir haben eine nicht‐natürliche Drei‐Enzym‐Kaskade für die Ein‐Topf‐Umwandlung von biobasiertem l‐Phenylalanin in Ethylbenzol entwickelt. Die geschwindigkeitsbestimmende Photodecarboxylase als Schlüsselenzym wurde einem strukturbasierten semi‐rationalem Engineering unterzogen und es wurde eine Dreifachmutante CvFAP(Y466T/P460A/G462I) mit einer 6.3‐fach höheren Produktivität erhalten. Mit dieser verbesserten Photodecarboxylase wurde ein optimiertes sequentielles E. coli Zwei‐Zellsystem‐Verfahren zur Umwandlung von l‐Phenylalanin in Ethylbenzol mit 82 % Umsatz entwickelt. Die Kaskadenreaktion wurde in die Fermentation integriert, um eine Ein‐Topf‐Bioproduktion von Ethylbenzol aus biobasiertem Glycerin zu erreichen. Dies zeigt das Potenzial der Kaskaden‐Biokatalyse in Kombination mit einem Enzym‐Engineering für die Produktion von biobasierten chemischen Grundstoffen auf.
Photoredox Nickel‐Catalysed Stille Cross‐Coupling Reactions
Authors: Zhou Zhenghong , Yang Jimin , Yang Bo , Han Yang , Zhu Lijuan , Xue Xiao‐Song , Zhu Feng 
Published: November 2023

AbstractThe Stille cross‐coupling reaction is one of the most common strategies for the construction of C−C bonds. Despite notable strides in the advancement of the Stille reaction, persistent challenges persist in hindering its greener evolution. These challenges encompass multiple facets, such as the high cost of precious metals and ligands, the demand for various additives, and the slow reaction rate. In comparison to the dominant palladium‐catalysed Stille reactions, cost‐effective nickel‐catalysed systems lag behind, and enantioconvergent Stille reactions of racemic stannanes remain undeveloped. Herein, we present a pioneering instance of nickel‐catalysed enantioconvergent Stille cross‐coupling reactions of racemic stannane reagents, resulting in the formation of C−C bonds in good to high yields with excellent stereoselectivity. This strategy provides a practical, scalable, and operationally straightforward method for the synthesis of C(sp3)−C(sp3), C(sp3)−C(sp2), and C(sp3)−C(sp) bonds under exceptionally mild conditions (without additives and bases, ambient temperature). The innovative use of synergistic photoredox/nickel catalysis enables a novel single‐electron transmetalation process of stannane reagents, providing a new research paradigm of Stille reactions.
Dual‐katalysierte intermolekulare reduktive Kopplung von Dienen und Ketonen**
Authors: Mayerhofer Victor J. , Lippolis Martina , Teskey Christopher J. 
Published: November 2023

AbstractWir berichten über eine milde, katalytische Methode für die intermolekulare reduktive Kopplung von Dienen und Styrolen mit Ketonen. Unsere Bedingungen ermöglichen die gleichzeitige Bildung einer Cobalthydrid‐Spezies und die Ein‐Elektronen‐Reduktion von Ketonen. Der anschließende selektive Wasserstoff‐Atom‐Transfer vom Cobalthydrid erzeugt ein allylisches Radikal, das sich selektiv mit dem persistenten Radikal‐Anion des Ketons verbinden kann. Diese Radikal‐Radikal‐Kopplung hebt die ungünstigen sterischen Wechselwirkungen der Ionenwege auf und vermeidet das instabile Alkoxy‐Radikal früherer radikalischer Olefin‐Carbonyl‐Kopplungen, die infolgedessen auf Aldehyde beschränkt waren. Zu den Anwendungen dieser neuen Methode gehören die effiziente Synthese von Arzneimittelmolekülen, wichtige Zwischenprodukte in der Arzneimittelsynthese und die ortselektive Late‐Stage‐Funktionalisierung.
Particle Engineering via Supramolecular Assembly of Macroscopic Hydrophobic Building Blocks
Authors: Kim Chan‐Jin , Goudeli Eirini , Ercole Francesca , Ju Yi , Gu Yuang , Xu Wanjun , Quinn John F. , Caruso Frank 
Published: November 2023

AbstractTailoring the hydrophobicity of supramolecular assembly building blocks enables the fabrication of well‐defined functional materials. However, the selection of building blocks used in the assembly of metal–phenolic networks (MPNs), an emerging supramolecular assembly platform for particle engineering, has been essentially limited to hydrophilic molecules. Herein, we synthesized and applied biscatechol‐functionalized hydrophobic polymers (poly(methyl acrylate) (PMA) and poly(butyl acrylate) (PBA)) as building blocks to engineer MPN particle systems (particles and capsules). Our method allowed control over the shell thickness (e.g., between 10 and 21 nm), stiffness (e.g., from 10 to 126 mN m−1), and permeability (e.g., 28–72 % capsules were permeable to 500 kDa fluorescein isothiocyanate‐dextran) of the MPN capsules by selection of the hydrophobic polymer building blocks (PMA or PBA) and by controlling the polymer concentration in the MPN assembly solution (0.25–2.0 mM) without additional/engineered assembly processes. Molecular dynamics simulations provided insights into the structural states of the hydrophobic building blocks during assembly and mechanism of film formation. Furthermore, the hydrophobic MPNs facilitated the preparation of fluorescent‐labeled and bioactive capsules through postfunctionalization and also particle–cell association engineering by controlling the hydrophobicity of the building blocks. Engineering MPN particle systems via building block hydrophobicity is expected to expand their use.
Tetraphenylethylene‐Based Hydrogen‐Bonded Organic Frameworks (HOFs) with Brilliant Fluorescence
Authors: Wang Shi‐Cheng , Zhang Qiang‐Sheng , Wang Zheng , Guan Shao‐Qi , Zhang Xiao‐Dong , Xiong Xiao‐Hong , Pan Mei 
Published: November 2023

AbstractBy synergistically employing four key strategies: (I) introducing tetraphenylethylene groups as the central core unit with aggregation‐induced emission (AIE) properties, (II) optimizing the π‐conjugated length by extending the building block branches, (III) incorporating flexible groups containing ethylenic bonds, and (IV) applying crystal engineering to attain dense stacking mode and highly twisty conformation, we successfully synthesized a series of hydrogen‐bonded organic frameworks (HOFs) exhibiting exceptional one/two‐photon excited fluorescence. Notably, when utilizing the fluorescently superior building block L2, HOF‐LIFM‐7 and HOF‐LIFM‐8 exhibiting high quantum yields (QY) of 82.1 % and 77.1 %, and ultrahigh two‐photon absorption (TPA) cross‐sections of 148959.5 GM and 123901.1 GM were achieved. These materials were successfully employed in one and two‐photon excited lysosome‐targeting cellular imaging. It is believed that this strategy, combining building block optimization and crystal engineering, holds significant potential for guiding the development of outstanding fluorescent HOF materials.
Macrocyclic Encapsulation in a Non‐fused Tetrathiophene Acceptor for Efficient Organic Solar Cells with High Short‐Circuit Current Density
Authors: Shen Shuaishuai , Mi Yu , Ouyang Yanni , Lin Yi , Deng Jingjing , Zhang Wenjun , Zhang Jianqi , Ma Zaifei , Zhang Chunfeng , Song Jinsheng , Bo Zhishan 
Published: November 2023

AbstractNon‐fullerene acceptors have shown great promise for organic solar cells (OSCs). However, challenges in achieving high efficiency molecular system with conformational unicity and effective molecular stacking remain. In this study, we present a new design of non‐fused tetrathiophene acceptor R4T‐1 via employing the encapsulation of tetrathiophene with macrocyclic ring. The single crystal structure analysis reveals that cyclic alkyl side chains can perfectly encapsulate the central part of molecule and generate a conformational stable and planar molecular backbone. Whereas, the control 4T‐5 without the encapsulation restriction displays cis‐ and twisted conformation. As a result, R4T‐1 based OSCs achieved an outstanding power conversion efficiency (PCE) exceeding 15.10 % with a high short‐circuit current density (Jsc) of 25.48 mA/cm2, which is significantly improved by ≈30 % in relative to that of the control. Our findings demonstrate that the macrocyclic encapsulation strategy could assist fully non‐fused electron acceptors (FNEAs) to achieve a high photovoltaic performance and pave a new way for FNEAs design.
High‐Performance Near‐Infrared Chlorinated Rylenecarboximide Fluorophores via Consecutive C−N and C−C Bond Formation
Authors: Wu Ze‐Hua , Skabeev Artem , Zagranyarski Yulian , Duan Ruomeng , Jin Jun‐O , Kwak Minseok , Basché Thomas , Müllen Klaus , Li Chen 
Published: November 2023

AbstractA new class of near‐infrared (NIR) fluorophores, PAI, is obtained by consecutive C−N/C−C bond formation between diphenylamines and 9,10‐dibromoperylenecarboximide. Owing to the rigid structure, extended π‐conjugation and pronounced push‐pull substitution, these fluorophores show emission maxima up to 804 nm and large Stokes shifts. The extraordinarily high fluorescence quantum yields from 47 % to 70 % are attributed to chloro substitution in the bay positions of the perylene core. These characteristics, together with high photostability, qualify them as useful NIR emitters for applications as biomarkers and security inks.
Monitored indentation for the detection of inclusions in elastomer material
Authors: Caro Anne‐Sophie , Iaquinta Sarah , Chhean Sarah , Guérandelle Léa , Mewa Singh Yohann , Léger Romain , Barés Jonathan , Regazzi Arnaud , Corn Stéphane , Ienny Patrick 
Published: November 2023

AbstractThe detection of inclusions in soft material is of great interest, especially in the medical field. Traditionally, a biopsy exam is performed after palpation, when necessary. In the present work, a potentially quantitative method, via monitored indentation, is used to mimic palpation. This method consists in investigating the relaxation and stress‐free relaxation responses to an indentation test performed on a silicone block with an inclusion. The aim of the study is to evaluate how a difference in position, size and adhesion of the inclusion can influence the response of the samples to monitored indentation. A finite element model is constructed to conduct comparative studies. The hyper‐viscoelastic parameters of the silicone have been identified experimentally. Results from the simulations showed that the indicators measured during monitored indentation, especially during the stress‐free relaxation phase, are sensitive to adhesive inclusions, while they provide little information regarding their non‐adhesive counterparts. Depths and sizes for which adhesive inclusions are more likely to be detected have been identified. These results are encouraging but are conducted on polymer material and a rigid inclusion; nevertheless, they suggest that the non‐destructive measure of the stress‐free relaxation response of a tissue may help practicians to quantitatively characterize the nature of a nodule.
Exploration of antiproliferative potential of modified triazole–benzohydrazone scaffold: Multitarget approach
Authors: Ali Alaa M. , Khalaf Mohamed A. , Bhongade Bhoomendra A. , Selim Khalid B. , Mostafa Amany S. 
Published: November 2023

AbstractA novel series of triazole–benzohydrazone hybrids was efficiently designed and synthesized as antiproliferative agents, targeting different kinases. All compounds were screened via the National Cancer Institute (NCI) against 60 cancer cell lines, where compounds 16, 17, and 18 exhibited growth inhibition percent (GI%) of various leukemia subpanels with values of 70.33%, 64.13%, and 76.03%, respectively. Compound 18 showed broad‐spectrum antiproliferative efficacy toward most cancer cells, with outstanding potency regarding melanoma (MALME‐3M GI% = 101.82%) and breast cancer cell lines (MCF7 GI% = 85.87%), while proving safe toward the WI‐38 normal cell line, compared to doxorubicin. Multikinase investigation including vascular endothelial growth factor receptor 2 (VEGFR‐2), mesenchymal epithelial transition factor (c‐Met), proto‐oncogene B‐Raf, mitogen‐activated protein kinase kinase, extracellular signal‐regulated kinase, and phosphoinositide 3‐kinase was accomplished to reveal its plausible mechanism of action, giving the ultimate potency against both VEGFR‐2 and c‐Met with IC50 values of 0.055 and 0.042 μM, respectively, while displaying moderate to good inhibition concerning the remaining kinases. DNA binding capability was excluded using the methyl green colorimetric assay. Further, it exhibited both early and late apoptotic induction by about 16‐ and 9.4‐fold over the control, respectively, triggering cell cycle arrest in the G2/M phase. Physicochemical properties and bioavailability radar plot inferred drug‐likeness characteristics for compound 18. The molecular docking study assessed the binding pattern with the active sites of c‐Met and VEGFR‐2.
Design and synthesis of benzo[b]thiophene‐based hybrids as novel antitubercular agents against MDR/XDR Mycobacterium tuberculosis
Authors: Al‐Warhi Tarfah , Rashad Nermeen M. , Almahli Hadia , Abdel‐Aziz Marwa M. , Elsayed Zainab M. , Shahin Mai I. , Eldehna Wagdy M. 
Published: November 2023

AbstractIn an effort to support the global fight against tuberculosis (TB), which is widely recognized as the most lethal infectious disease worldwide, we present the design and synthesis of new benzo[b]thiophene‐based hybrids as promising candidates for the management of multidrug‐resistant (MDR)/extensively drug‐resistant (XDR) Mycobacterium tuberculosis. The isatin motif was incorporated into the target hybrids as it represents a privileged scaffold in antitubercular drug discovery. Since lipophilicity plays a pivotal role in the anti‐TB agents' activity, the lipophilicity of the target hybrids was manipulated via the development of two series of N‐1 methyl and N‐1 benzyl substituted isatins (6a–h and 9a–h, respectively). Screening of the target hybrids was first performed against drug‐sensitive M. tuberculosis (ATCC 25177). The structure–activity relationship outputs highlighted that incorporation of 3‐unsubstituted benzo[b]thiophene and 5‐methoxy isatin moieties was favorable for the antimycobacterial activity. Thereafter, the most potent molecules (6b–h, 9c–e, and 9h) were evaluated against the resistant strains MDR‐TB (ATCC 35822) as well as against XDR‐TB (RCMB 2674) where they displayed promising activity. To evaluate the safety of the target hybrids, an sulforhodamine B assay was conducted to determine their possible cytotoxic effects on VERO cells.
Prospective Evaluation of High Titer Autoantibodies and Fetal Home Monitoring in the Detection of Atrioventricular Block Among Anti‐SSA/Ro Pregnancies
Authors: Buyon Jill. P. , Masson Mala , Izmirly Caroline G. , Phoon Colin , Acherman Ruben , Sinkovskaya Elena , Abuhamad Alfred , Makhoul Majd , Satou Gary , Hogan Whitnee , Pinto Nelangi , Moon‐Grady Anita , Howley Lisa , Donofrio Mary , Krishnan Anita , Ahmadzia Homa , Levasseur Stephanie , Paul Erin , Owens Sonal , Cumbermack Kristopher , Matta Jyothi , Joffe Gary , Lindblade Christopher , Haxel Caitlin , Kohari Katherine , Copel Joshua , Strainic James , Doan Tam , Bermudez‐Wagner Karla , Holloman Conisha , Sheth Shreya S. , Killen Stacy , Tacy Theresa , Kaplinski Michelle , Hornberger Lisa , Carlucci Philip M. , Izmirly Peter , Fraser Nicola , Clancy Robert M. , Cuneo Bettina F. 
Published: November 2023

ObjectiveThis prospective study of pregnant patients, Surveillance To Prevent AV Block Likely to Occur Quickly (STOP BLOQ), addresses the impact of anti‐SSA/Ro titers and utility of ambulatory monitoring in the detection of fetal second‐degree atrioventricular block (AVB).MethodsWomen with anti‐SSA/Ro autoantibodies by commercial testing were stratified into high and low anti–52‐kD and/or 60‐kD SSA/Ro titers applying at‐risk thresholds defined by previous evaluation of AVB pregnancies. The high‐titer group performed fetal heart rate and rhythm monitoring (FHRM) thrice daily and weekly/biweekly echocardiography from 17–26 weeks. Abnormal FHRM prompted urgent echocardiography to identify AVB.ResultsAnti–52‐kD and/or 60‐kD SSA/Ro met thresholds for monitoring in 261 of 413 participants (63%); for those, AVB frequency was 3.8%. No cases occurred with low titers. The incidence of AVB increased with higher levels, reaching 7.7% for those in the top quartile for anti–60‐kD SSA/Ro, which increased to 27.3% in those with a previous child who had AVB. Based on levels from 15 participants with paired samples from both an AVB and a non‐AVB pregnancy, healthy pregnancies were not explained by decreased titers. FHRM was considered abnormal in 45 of 30,920 recordings, 10 confirmed AVB by urgent echocardiogram, 7 being second‐degree AVB, all <12 hours from normal FHRM and within another 0.75 to 4 hours to echocardiogram. The one participant with second/third‐degree and two participants with third‐degree AVB were diagnosed by urgent echocardiogram >17 to 72 hours from an FHRM. Surveillance echocardiograms detected no AVB when the preceding interval FHRM recordings were normal.ConclusionHigh‐titer antibodies are associated with an increased incidence of AVB. Anti‐SSA/Ro titers remain stable over time and do not explain the discordant recurrence rates, suggesting that other factors are required. Fetal heart rate and rhythm (FHRM) with results confirmed by a pediatric cardiologist reliably detects conduction abnormalities, which may reduce the need for serial echocardiograms.
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