bluuebunny/crossref_metadata_2025_split huggingface dataset:
Catalyst Development for High‐Temperature Polymer Electrolyte Membrane Fuel Cell (HT‐PEMFC) Applications
Authors: Seselj Nedjeljko , Alfaro Silvia M. , Bompolaki Eftychia , Cleemann Lars N. , Torres Tomas , Azizi Kobra 
Published: May 2023

AbstractA constant increase in global emission standard is causing fuel cell (FC) technology to gain importance. Over the last two decades, a great deal of research has been focused on developing more active catalysts to boost the performance of high‐temperature polymer electrolyte membrane fuel cells (HT‐PEMFC), as well as their durability. Due to material degradation at high‐temperature conditions, catalyst design becomes challenging. Two main approaches are suggested: (i) alloying platinum (Pt) with low‐cost transition metals to reduce Pt usage, and (ii) developing novel catalyst support that anchor metal particles more efficiently while inhibiting corrosion phenomena. In this comprehensive review, the most recent platinum group metal (PGM) and platinum group metal free (PGM‐free) catalyst development is detailed, as well as the development of alternative carbon (C) supports for HT‐PEMFCs.
Hiltonol, a dsRNA Mimic, Promotes NK Cell Anticancer Cytotoxicity Through TAZ Cytoplasmic Sequestration
Authors: Wong Darren Chen Pei , Xia Zekun , Shao Nandi , Yow Ivan , Thivakar T. , Yeo Jin Ye , Salazar Andres M. , Liou Yih‐Cherng , Low Boon Chuan , Ding Jeak Ling 
Published: May 2023

AbstractThe evolutionarily conserved YAP/TAZ mechanoresponsive transcription cofactors regulate development and tumorigenesis. Here, it is shown for the first time that human natural killer (NK) cells specifically express TAZ but not YAP, and TAZ serves to limit NK cytotoxicity. The synthetic double‐stranded RNA, hiltonol, is able to trigger cytoplasmic compartmentalization of TAZ, which increases NK cytotoxicity. Mechanistically, a low dose of hiltonol enhances the actin‐based intracellular contractility of NK cells accompanied by an increase in active RhoA and myosin light chain phosphorylation, conceivably through an increase in ERK1/2 activation‐dependent ROS production. Importantly, it is showed that the dissociation of LATS1 from actin upon activation of contractility is associated with TAZ cytoplasmic localization. Functionally, hiltonol also reduces the NK cell surface inhibitory receptors, e.g., KIR3DL1, through c‐Myc inhibition. Direct inhibition of c‐Myc promotes NK cytotoxicity against K562 lymphoblast. The findings are corroborated by coculturing hiltonol‐pretreated NK cells with breast and lung cancer cells, and increased NK‐mediated cancer killing is demonstrated, which conceivably occurs via compartmentalization of TAZ to the cytoplasm which facilitates NK cytotoxicity. The findings pave the way for ex vivo rejuvenation of NK cells for in vivo immunotherapies, which can involve a cocktail of low dose hiltonol and c‐Myc inhibitor.
Machine Learning‐Enabled Virtual Screening with Multiple Protein Structures toward the Discovery of Novel JAK3 Inhibitors: Integration of Molecular Docking, Pharmacophore, and Naïve Bayesian Classification
Authors: Zhu Jingyu , Sun Jingyu , Jia Lei , Xu Lei , Cai Yanfei , Chen Yun , Jin Jian 
Published: May 2023

AbstractExtensive research has accumulated suggesting that Janus kinase 3 (JAK3) is closely related to the occurrence and development of various human diseases, making JAK3 a highly potential drug target. However, JAK3 has high homology with other members of the JAK family, making the development of JAK3 inhibitors full of challenges. Thus, here, a naïve Bayesian classification (NBC) model based on multiple JAK3 protein conformations, which integrates molecular docking, pharmacophore, and molecular descriptors, is developed to find novel JAK3 inhibitors. First, the validation set is used to prove whether molecular docking or pharmacophore, integrating multiple JAK3 conformations always has higher prediction accuracy than that of any single conformation. Second, external prediction reveals that the NBC model combining molecular docking, pharmacophore, and important molecular features could significantly improve the enrichment of active JAK3 inhibitors. Finally, the optimal NBC model is utilized for virtual screening against a large chemical database and some compounds with high Bayesian scores are identified. Altogether, the machine learning‐based virtual screening protocol not only has strong efficiency but also has high screening accuracy. It is hoped that the developed virtual screening strategy could provide valuable guidance for the discovery of novel JAK3 inhibitors.
Kinetics of cellular and humoral immunogenicity and effectiveness of SARS‐CoV‐2 booster vaccination in hematologic neoplasms
Authors: Jiménez Moraima , Fernández‐Naval Candela , Navarro Víctor , Novoa Sandra , Martinez‐Gallo Mónica , Medina Daniel , Andrés Cristina , Antón Andrés , Peralta Soraya , Pujadas Gemma , Hernández Cristina , Pagès Carlota , Roldán Elisa , Pumarola Tomás , Gironella Mercedes , Ruiz‐Camps Isabel , Martínez‐Gómez Xavier , Valcárcel David , Hernández Manuel , Bosch Francesc , Crespo Marta , Esperalba Juliana , Abrisqueta Pau 
Published: May 2023

AbstractData on the effect of booster SARS‐CoV‐2 vaccination are mainly focused on humoral immunogenicity, while the kinetics of vaccine‐induced cellular response and its correlation with effectiveness in hematologic patients are less explored. Our aim was to evaluate the longitudinal cellular and humoral immunogenicity induced by two and three doses of the mRNA‐1273 SARS‐CoV‐2 vaccine in 270 patients with hematologic malignancies, and its relationship with the severity of breakthrough SARS‐CoV‐2 infection. Results indicate that at 23 weeks after the second dose, the seroconversion rate declined from 68.5% to 59.3%, with a reduction in median anti‐S titers from 1577 to 456 BAU/mL, mainly in patients over 65 years of age or chronic lymphocytic leukemia (CLL) patients undergoing active therapy. Cellular immunogenicity, however, remained positive in 84.4% of cases. A third vaccine dose seroconverted 42.7% (41/96) and triggered cellular response in 36.7% (11/30) of previously negative patients. Notably, only 7.2% (15/209) of patients failed to develop both humoral and cellular response. Active therapy, anti‐CD20 antibodies, lymphopenia, hypogammaglobulinemia, and low CD19+ cell count were associated with poor humoral response, while active disease, GvHD immunosuppressive therapy, lymphopenia, and low CD3+, CD4+, CD56+ cell count determined an impaired cellular response. After 13.8 months of follow‐up, the incidence of SARS‐CoV‐2 infection was 24.8% (67/270), including 6 (9%) severe/critical cases associated with a weaker cellular (median interferon gamma (IFN‐γ) 0.19 vs. 0.35 IU/mL) and humoral response (median anti‐S titer <4.81 vs. 788 BAU/mL) than asymptomatic/mild cases. In conclusion, SARS‐CoV‐2 booster vaccination improves humoral response and COVID‐19 severity is associated with impaired vaccine‐induced immunogenicity.
Humanization for neurological disease modeling: A roadmap to increase the potential of Drosophila model systems
Authors: Katanaev Vladimir L. 
Published: May 2023

AbstractNeuroscience and neurology research is dominated by experimentation with rodents. Around 75% of neurology disease‐associated genes have orthologs in Drosophila melanogaster, the fruit fly amenable to complex neurological and behavioral investigations. However, non‐vertebrate models including Drosophila have so far been unable to significantly replace mice and rats in this field of studies. One reason for this situation is the predominance of gene overexpression (and gene loss‐of‐function) methodologies used when establishing a Drosophila model of a given neurological disease, a strategy that does not recapitulate accurately enough the genetic disease conditions. I argue here the need for a systematic humanization approach, whereby the Drosophila orthologs of human disease genes are replaced with the human sequences. This approach will identify the list of diseases and the underlying genes that can be adequately modeled in the fruit fly. I discuss the neurological disease genes to which this systematic humanization approach should be applied and provide an example of such an application, and consider its importance for subsequent disease modeling and drug discovery in Drosophila. I argue that this paradigm will not only advance our understanding of the molecular etiology of a number of neurological disorders, but will also gradually enable researchers to reduce experimentation using rodent models of multiple neurological diseases and eventually replace these models.
Investigation of selective retinoic acid receptor alpha antagonist ER‐50891 and related analogs for male contraception
Authors: Kyzer Jillian L. , Noman Md Abdullah Al , Cuellar Rebecca A. D. , Chung Sanny S. W. , Maitra Soma , Naqvi Tahmina , Hawkinson Jon E. , Wolgemuth Debra J. , Georg Gunda I. 
Published: May 2023

AbstractRetinoic acid receptor alpha (RARα) antagonist ER‐50891 and 15 analogs were prepared and tested in vitro for potency and selectivity at RARα, RARβ, and RARγ using transactivation assays. Minor modifications to the parent molecule such as the introduction of a C4 tolyl group in place of the C4 phenyl group on the quinoline moiety slightly increased the RARα selectivity but larger substituents significantly decreased the potency. Replacement of the pyrrole moiety of ER‐50891 with triazole, amides, or a double bond produced inactive compounds. ER‐50891 was found to be stable in male mouse liver microsomes and was tested in male mice to assess its effects on spermatogenesis. Characteristic, albeit modest and transient, effects on spermatogenesis were observed.
Synthesis and Antifungal Activity of Curcumol Derivatives
Authors: Gao Fu‐Tian , Jin Jun , Jian Jun‐You , Chen Liang , Gu Wei , Yuan Chun‐Mao , Hao Xiao‐Jiang , Huang Lie‐Jun 
Published: May 2023

AbstractTo discover novel and effective antifungal candidates, a series of new curcumol derivatives were designed, synthesized, and evaluated their antifungal activity against five phytopathogenic fungi by the mycelium growth rate method. Derivatives c4, c22 and c23 exhibited excellent antifungal activity against Phomopsis sp. with EC50 values of 3.06, 3.07, and 3.16 μM, respectively. Specifically, compound c4 exhibited the strongest antifungal activity against Phomopsis sp., which was 44 times that of pyrimethanil (EC50=134.37 μM). The results of scanning electron microscopy (SEM) and transmission electron microscopy (TEM) indicated that compound c4 could cause cell senescence and death of Phomopsis sp. by changing the normal hyphal morphology and disrupting the normal metabolism of hyphal cells. Moreover, compound c4 showed excellent curative effect against Phomopsis sp. on kiwifruit. These findings confirmed that compound c4 has great potential as a potent antifungal agent.
Advances in immune response to pulmonary infection: Nonspecificity, specificity and memory
Authors: Xu Jianqiao , Xie Lixin 
Published: May 2023

AbstractThe lung immune response consists of various cells involved in both innate and adaptive immune processes. Innate immunity participates in immune resistance in a nonspecific manner, whereas adaptive immunity effectively eliminates pathogens through specific recognition. It was previously believed that adaptive immune memory plays a leading role during secondary infections; however, innate immunity is also involved in immune memory. Trained immunity refers to the long‐term functional reprogramming of innate immune cells caused by the first infection, which alters the immune response during the second challenge. Tissue resilience limits the tissue damage caused by infection by controlling excessive inflammation and promoting tissue repair. In this review, we summarize the impact of host immunity on the pathophysiological processes of pulmonary infections and discuss the latest progress in this regard. In addition to the factors influencing pathogenic microorganisms, we emphasize the importance of the host response.
Y‐Shaped D‐A Type Thioxanthone Derivatives: Mechano‐Induced Thermally Activated Delayed Fluorescence and High‐Contrast Mechano‐Responsive Luminescence
Authors: Mu Yingxiao , Liao Liyun , Li Wenlang , Yang Zhiyong , Zhang Yi , Huo Yanping , Chi Zhenguo 
Published: May 2023

AbstractHigh‐contrast mechano‐responsive luminescence (MRL) materials with mechano‐induced emission enhancement properties are fascinating candidates but few, for applications in rewritable media and recording devices. Here, an interesting design strategy of “Y‐shape” donor‐acceptor (D−A) type molecules for high‐contrast MRL materials was presented, based on substituted diphenylamine donor and planar acceptor. Interestingly, their D−A torsion angles are small in crystals but increased after ground, resulted in planar and twist intramolecular charge transfer (PICT and TICT) states, respectively. Therefore, high‐contrast MRL switching between weak blue (450 nm) fluorescence and bright yellow (552 nm) thermally activated delayed fluorescence (TADF) can be achieved for compound TXDO (4,4′‐dimethoxydiphenylamine donor), which photoluminescence quantum yield increased from 2.8 % to 54.7 % after ground. Most importantly, the two independent D−A conjugation dihedral angles are actually independent in the “Y‐shape” molecules. Especially for compound TXDT (4,4′‐di‐tert‐butyldiphenylamine donor), its crystal exhibited both PICT and TICT processes inside, resulted from the different dihedral angles of 11.8° and 35.5°, respectively. The TXDT crystal thus showed dual‐peak emission, including both TICT fluorescence and PICT room‐temperature phosphorescence. Therefore, this strategy of “Y‐shape” D−A type molecules provide a new approach to design advanced luminescent materials with mechano‐induced TADF feature, for high‐contrast MRL and single‐component white luminescence.
Cooperatively Catalyzed Activation of Thioglycosides That Bypasses Intermediacy of Glycosyl Halides
Authors: Dent Ashley , Escopy Samira , Demchenko Alexei V. 
Published: May 2023

AbstractReported herein is the development of a novel method for activating thioglycosides without a glycosyl halide intermediate. This has been achieved through the use of a silver salt coupled with an acid additive and molecular iodine. The enhanced stereocontrol was achieved via the H‐bond mediated aglycone delivery (HAD) method, and the extended trisaccharide synthesis was achieved via iteration of deprotection and glycosylation steps.
Polymer‐Stabilized Liquid Crystal Films Containing Dithienyldicyanoethene‐Based Chiral Photoswitch: Multi‐Modulation for Environment‐Adaptative Smart Windows
Authors: Lin Siyang , Zhang Yiyu , Guo Dekang , Song Chunfeng , Guo Jinbao 
Published: May 2023

AbstractA polymer‐stabilized liquid crystal (PSLC)‐based environment‐adaptative smart window with multi‐modulations is demonstrated. This PSLC system contains a right‐handed dithienyldicyanoethene‐based chiral photoswitch and a chiral dopant, S811, with opposite handedness, of which the reversible cis‐trans photoisomerization of the switch can drive self‐shading of the smart window under UV light stimulus because of the transition from nematic phase to cholesteric one. With the assistance of solar heat, the opacity of the smart window can be deepened because the heat promotes the isomerization conversion rate of the switch. This switch has no thermal relaxation at room temperature, therefore, the smart window exhibits dual stabilization: transparent state (cis‐isomer) and opaque state (trans‐isomer). Moreover, the incident intensity of sunlight can be regulated by an electric field, which allows the smart window to adapt to some specific situations. Such an energy‐saving device can be used in buildings and vehicles to control indoor temperature and adapt to the required ambiance.
Metal‐Free Electrocatalysts for the Selective 2 e−Oxygen Reduction Reaction: A Never‐Ending Story?
Authors: Tuci Giulia , Rossin Andrea , Zhang Xiong , Truong‐Phuoc Lai , Berretti Enrico , Liu Yuefeng , Pham‐Huu Cuong , Ali Sajjad , Jan Faheem , Poggini Lorenzo , Giambastiani Giuliano 
Published: May 2023

AbstractHydrogen peroxide (H2O2) electrosynthesis via the 2e−Oxygen Reduction Reaction (ORR) represents a highly challenging, environmentally friendly and cost‐effective alternative to the current anthraquinone‐based technology. Various lightweight element hetero‐doped carbon nanostructures are promising and cheap metal‐free electrocatalysts for H2O2synthesis, particularly those containing O‐functionalities. The exact role of O‐containing functional groups as electroactive sites for the process remains debated if not highly controversial. Herein, we have reported on the covalent exohedral functionalization of the outer surface of extra‐pure multi‐walled carbon nanotubes (MWCNTs) with discrete O‐functional groups as a unique approach to prepare selective electrocatalysts for the process. This kind of decoration has added fundamental tiles to the puzzling structure/reactivity relationship of O‐containing carbon‐based catalysts for ORR, clearing doubts on the controversial role of hydroxyl/phenol groups as key functionalities for the design of more performing 2e−ORR electrocatalysts.
Thienoindolizines and their Benzo‐Fused Derivatives: Synthesis and Physical Properties
Authors: Ausekle Elina , Ehlers Peter , Villinger Alexander , Argüello Cordero Miguel Andre , Lochbrunner Stefan , Langer Peter 
Published: May 2023

AbstractA series of thienoindolizine structural isomers have been synthesized in a one‐pot, two‐step procedure starting from easily accessible gem‐difluoroalkene functionalized bromothiophenes. The developed method gives easy access to a range of thienoindolizine products containing thieno[3,2‐g]‐, thieno[3,4‐g]‐ and thieno[2,3‐g]indolizine core structures. The described synthesis strategy consists of a base mediated, transition metal free nucleophilic substitution of fluorine atoms by nitrogen containing heterocycles followed by a Pd catalyzed intramolecular cyclization. A series of 22 final product examples has been obtained with yields ranging from 29 % to 95 %. UV/Vis absorption, fluorescence spectroscopy, fluorescence lifetime measurements and cyclic voltammetry were carried out with selected final products to evaluate structural effects on photophysical and electrochemical properties. (TD)DFT and NICS calculations were performed to provide insight into the electronic properties of the four core molecular structures.
Tf2O‐Catalyzed Tandem Cyclization/Trifluoromethylselenolation of Alkynes for Synthesis of CF3Se‐Containing Heterocycles
Authors: Zhang Shangbiao , Gao Yan , Xiao Rui , Li Yang , Wang Yanan , Yuan Zheliang 
Published: May 2023

AbstractHerein, the tandem synthesis of various CF3Se‐containing heterocyclic compounds has been developed, using Tf2O as the catalyst and trifluoromethyl selenoxides as the electrophilic trifluoromethylselenolation reagents. This process is characterized by its mild conditions, ease of operation, and good functional group compatibility. A variety of alkynes could be transferred into CF3Se‐containing indoles, benzofurans, benzothiophenes, isoquinolines and chromenes in good yields. A key step involving the formation of the electrophilic CF3Se species was proposed.
Clinical outcomes of chemotherapy in cancer patients with different ethnicities
Authors: Pathak Suhrud , Zajac Kelsee K. , Annaji Manjusha , Govindarajulu Manoj , Nadar Rishi M. , Bowen Dylan , Babu R. Jayachandra , Dhanasekaran Muralikrishnan 
Published: May 2023

AbstractBackgroundChoosing the most effective chemotherapeutic agent with safest side effect profile is a common challenge in cancer treatment. Although there are standardized chemotherapy protocols in place, protocol changes made after extensive clinical trials demonstrate significant improvement in the efficacy and tolerability of certain drugs. The pharmacokinetics, pharmacodynamics, and tolerance of anti‐cancer medications are all highly individualized. A driving force behind these differences lies within a person's genetic makeup.Recent findingsPharmacogenomics, the study of how an individual's genes impact the processing and action of a drug, can optimize drug responsiveness and reduce toxicities by creating a customized medication regimen. However, these differences are rarely considered in the initial determination of standardized chemotherapeutic protocols and treatment algorithms. Because pharmacoethnicity is influenced by both genetic and nongenetic variables, clinical data highlighting disparities in the frequency of polymorphisms between different ethnicities is steadily growing. Recent data suggests that ethnic variations in the expression of allelic variants may result in different pharmacokinetic properties of the anti‐cancer medication. In this article, the clinical outcomes of various chemotherapy classes in patients of different ethnicities were reviewed.ConclusionGenetic and nongenetic variables contribute to the interindividual variability in response to chemotherapeutic drugs. Considering pharmacoethnicity in the initial determination of standard chemotherapeutic protocols and treatment algorithms can lead to better clinical outcomes of patients of different ethnicities.
Gelation Mechanism Revealed in Organometallic Gels: Prevalence of van der Waals Interactions on Oligomerization by Coordination Chemistry
Authors: Wang Yinping , Coppel Yannick , Fitremann Juliette , Massou Stéphane , Mingotaud Christophe , Kahn Myrtil L. 
Published: May 2023

AbstractShaping of nanomaterials is a necessary step for their inclusion in electronic devices and batteries. For this purpose, the formulation of a moldable material including these nanomaterials is desirable. Organomineral gels are a very interesting option, since the components of the nanomaterial itself form a gel without the help of a binder. As a consequence, the properties of the nanomaterial are not diluted by the binder. In this article we studied organometallic gels based on a [ZnCy2] organometallic precursor and a primary alkyl amine which together forms spontaneously gels after few hours. We identified the main parameters controlling the gel properties monitored by rheology and NMR measurements The experiments demonstrate that the gelation time depends on the length of the alkyl chain of the amine and that the gelation mechanism derived firstly from the rigidification of the aliphatic chains of the amine, which takes precedence over the oligomerization of the inorganic backbone. This result highlights that the control of the rheological properties of organometallic gels remains mainly governed by the choice of the amine.