bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pore‐to‐mesoscale network modeling of heat transfer and fluid flow in packed beds with application to process design
Authors: Qu Ming‐Liang , Blunt Martin J. , Fan Xiaolei , Foroughi Sajjad , Yu Zi‐Tao , Lin Qingyang 
Published: August 2023

AbstractA dual‐network model (DNM) representing the topological characteristics of both the pore space and solid fraction of a packed bed was developed to study coupled incompressible water flow and heat transport from the pore‐scale to mesoscale (μm‐cm) with the consideration of temperature‐dependent fluid viscosity. The DNM was validated and used to study the temperature and velocity at the pore scale and their effects on fluid flow and heat transfer. Then the pore volume of the DNM was varied to illustrate the effect of bed porosity on transport processes, quantifying the trade‐off between flow conditions and heat transfer. This work demonstrates the ability of the DNM to simulate pore‐scale fluid flow and heat transfer simultaneously, which can then be averaged over the entire simulation domain to approximate meso/macroscopic parameters efficiently in relation to the pore geometry.
F‐erythrocytes promote Plasmodium falciparum proliferation in sickle cell disease
Authors: Archer Natasha M. , Gnangnon Bénédicte , Mikdar Mahmoud , Ciuculescu Marioara F. , Petersen Nicole , Staffa Steven J. , Duraisingh Manoj T. 
Published: August 2023

AbstractBackgroundSickle cell disease (SCD) remains prevalent because heterozygous carriers (HbAS) are partially resistant to Plasmodium falciparum malaria. Sickle hemoglobin (HbS) polymerization in low and intermediate oxygen (O2) conditions is the main driver of HbAS‐driven resistance to P. falciparum malaria. However, epidemiological studies have reported mixed malaria morbidity and mortality outcomes in individuals with sickle cell disease (SCD). While maximum‐tolerated dose hydroxyurea has been shown to lower malaria incidence, fetal hemoglobin (HbF), an inhibitor of HbS polymerization that is variably packaged in F‐erythrocytes, might provide hemoglobin that is accessible to the parasite for feeding.MethodsTo explore that risk, we examined the effect of variable mean corpuscular fetal hemoglobin (MCHF) on P. falciparum proliferation, invasion, and development in HbSS RBCs.ResultsWe found that greater MCHF in HbSS red blood cells (RBCs) is associated with increased P. falciparum proliferation in O2 environments comparable with the microcirculation. Moreover, both parasite invasion and intracellular growth, the major components of proliferation, occur predominantly in F‐erythrocytes and are augmented with increasing MCHF.ConclusionsHbF modifies P. falciparum infection in HbSS RBCs, further highlighting the complexity of the molecular interactions between these two diseases. Other inhibitors of HbS polymerization that do not increase HbF or F‐erythrocytes should be independently assessed for their effects on P. falciparum malaria proliferation in HbSS RBCs.
Psychiatric and neurological manifestations in adults with Smith–Magenis syndrome: A scoping review
Authors: Korteling Dorinde , Musch Jiska L. I. , Zinkstok Janneke R. , Boot Erik 
Published: August 2023

AbstractSmith–Magenis syndrome (SMS) is a neurodevelopmental disorder caused by a 17p11.2 deletion or a pathogenic variant of the RAI1 gene, which lies within the 17p11.2 region. Various psychiatric and neurological disorders have been reported in SMS, with most literature focusing on children and adolescents. To provide an overview of the current knowledge on this topic in adults with SMS, we performed a comprehensive scoping review of the relevant literature. Our findings suggest that many manifestations that are common in childhood persist into adulthood. Neuropsychiatric manifestations in adults with SMS include intellectual disability, autism spectrum‐ and attention deficit hyperactivity disorder‐related features, self‐injurious and physical aggressive behaviors, sleep–wake disorders, and seizures. Findings of this review may facilitate optimization of management strategies in adults with SMS, and may guide future studies exploring late‐onset psychiatric and neurological comorbidities in SMS.
Computational facial analysis for rare Mendelian disorders
Authors: Hsieh Tzung‐Chien , Krawitz Peter M. 
Published: August 2023

AbstractWith the advances in computer vision, computational facial analysis has become a powerful and effective tool for diagnosing rare disorders. This technology, also called next‐generation phenotyping (NGP), has progressed significantly over the last decade. This review paper will introduce three key NGP approaches. In 2014, Ferry et al. first presented Clinical Face Phenotype Space (CFPS) trained on eight syndromes. After 5 years, Gurovich et al. proposed DeepGestalt, a deep convolutional neural network trained on more than 21,000 patient images with 216 disorders. It was considered a state‐of‐the‐art disorder classification framework. In 2022, Hsieh et al. developed GestaltMatcher to support the ultra‐rare and novel disorders not supported in DeepGestalt. It further enabled the analysis of facial similarity presented in a given cohort or multiple disorders. Moreover, this article will present the usage of NGP for variant prioritization and facial gestalt delineation. Although NGP approaches have proven their capability in assisting the diagnosis of many disorders, many limitations remain. This article will introduce two future directions to address two main limitations: enabling the global collaboration for a medical imaging database that fulfills the FAIR principles and synthesizing patient images to protect patient privacy. In the end, with more and more NGP approaches emerging, we envision that the NGP technology can assist clinicians and researchers in diagnosing patients and analyzing disorders in multiple directions in the near future.
Synthesis of Isochromeno[3,4‐d]imidazoles via Rh(II)‐catalyzed [3+2] Annulation between 4‐Diazoisochroman‐3‐imines and Oximes
Authors: Qi Minghui , Suleman Muhammad , Wang Yingxiao , Lu Ping , Wang Yanguang 
Published: August 2023

AbstractA series of isochromeno[3,4‐d]imidazoles were synthesized in good yields via Rh(II)‐catalyzed [3+2] annulation between 4‐diazoisochroman‐3‐imines and oximes. This method involves the formation of rhodium carbene intermediates and elucidates the unique reactivity of oximes under Rh(II) catalysis. Operationally simple and mild reaction conditions with broad substrate diversity, and readily accessible starting materials and rhodium catalyst are the merits of our reaction.
Elucidating the Underlying Reactivities of Alternating Current Electrosynthesis by Time‐Resolved Mapping of Short‐Lived Reactive Intermediates
Authors: Wan Qiongqiong , Chen Kaixiang , Dong Xin , Ruan Xianqin , Yi Hong , Chen Suming 
Published: August 2023

AbstractAlternating current (AC) electrolysis is an emerging field in synthetic chemistry, however its mechanistic studies are challenged by the effective characterization of the elusive intermediate processes. Herein, we develop an operando electrochemical mass spectrometry platform that allows time‐resolved mapping of stepwise electrosynthetic reactive intermediates in both direct current and alternating current modes. By dissecting the key intermediate processes of electrochemical functionalization of arylamines, the unique reactivities of AC electrosynthesis, including minimizing the over‐oxidation/reduction through the inverse process, and enabling effective reaction of short‐lived intermediates generated by oxidation and reduction in paired electrolysis, were evidenced and verified. Notably, the controlled kinetics of reactive N‐centered radical intermediates in multistep sequential AC electrosynthesis to minimize the competing reactions was discovered. Overall, this work provides direct evidence for the mechanism of AC electrolysis, and clarifies the underlying reasons for its high efficiency, which will benefit the rational design of AC electrosynthetic reactions.
Base‐Promoted Glycosylation Allows Protecting Group‐Free and Stereoselective O‐Glycosylation of Carboxylic Acids**
Authors: Zuo Hao , Zhang Chen , Zhang Yang , Niu Dawen 
Published: August 2023

AbstractHere we report a simple and general method to achieve fully unprotected, stereoselective glycosylation of carboxylic acids, employing bench‐stable allyl glycosyl sulfones as donors. Running the glycosylation reaction under basic conditions was crucial for the efficiencies and selectivities. Both the donor activation stage and the glycosidic bond forming stage of the process are compatible with free hydroxyl groups, thereby allowing for the use of fully unprotected glycosyl donors. This transformation is stereoconvergent, occurs under mild and metal‐free conditions at ambient temperature with visible light (455 nm) irradiation, and displays remarkable scope with respect to both reaction partners. Many natural products and commercial drugs, including an acid derived from the complex anticancer agent taxol, were efficiently glycosylated. Experimental studies provide insights into the origin of the stereochemical outcome.
An Interlocked Figure‐of‐Eight Molecular Shuttle
Authors: Gauthier Maxime , Fournel‐Marotte Karine , Clavel Caroline , Waelès Philip , Laurent Philippe , Coutrot Frédéric 
Published: August 2023

AbstractHere is reported the synthesis and characterization of an interlocked figure‐of‐eight rotaxane molecular shuttle from a dibenzo‐24‐crown‐8 (DB24C8) derivative. This latter bears two molecular chains, whose extremities are able to react together by click chemistry. One of the two substituting chain holds an ammonium function aimed at driving the self‐entanglement through the complexation of the DB24C8 moiety. In the targeted figure‐of‐eight rotaxane, shuttling of the DB24C8 along the threaded axle from the best ammonium station to the weaker binding site triazolium was performed through deprotonation or deprotonation‐then‐carbamoylation of the ammonium. This way, two discrete co‐conformational states were obtained, in which the folding and size of the two loops could be changed.
Anisotropy induced in magnetic field in GNPs/epoxy composites used as an effective heat dissipation electronic packaging material
Authors: Yan Zhengyang , Zhang Xiaohui , Gao Yu , Kong Zisong , Ma Xiaolong , Gou Quan , Liang Huiming , Cai Xiaoming , Tan Honglin , Cai Jinming 
Published: August 2023

AbstractThis article investigates the effect of different magnetic fields on modulating the alignment of graphene nanoplatelets (GNPs) and their impact on the thermal conductivity of epoxy nanocomposites. Various nanocomposite specimens were fabricated with different GNP contents by using magnetically field‐aligned GNPs in the fabrication process to enhance the thermal conductivity. The results showed that the in‐plane thermal conductivity of the Bmf (Bidirectional magnetic field) sample with 5 wt% GNPs added reached 0.75 W m−1 K−1, which is 276.6% higher than that of pure epoxy resin and the anisotropy coefficient (K∥/K⊥) reached 3.3. In addition, temperature rise tests were performed to simulate the thermal conductivity of nanocomposites used as an electronic packaging material, and the results indicated that the composites achieved a significant increase in in‐plane thermal conductivity with a lower amount of filler. This provides valuable insights into the preparation of thermally conductive composites and demonstrates their potential as a thermal management packaging material for next‐generation electronic devices.
Capacitors based on PEDOT nanowire electrodeposits
Authors: Gacitúa Manuel Alejandro , del Valle María Angelica , Ramírez Andrés Mauricio 
Published: August 2023

AbstractThe capacitive properties of poly(3,4‐ethylenedioxythiophene) nanowires (PEDOT‐nw) obtained in situ by the electrosynthesis of EDOT in acetonitrile by cyclic voltammetry on a transparent ITO electrode that has been previously modified with a thin layer of PEDOT, on which mesoporous SiO2 is deposited. Silica acts as a template for the generation of polymer nanowires. The voltammetric profiles are consistent with a large increase in the surface area of the electrode, while their Raman spectroscopy and SEM microscopy demonstrate the formation of polymer nanostructures on the electrode surface. Also, by SEM, the presence of PEDOT deposit is verified in the form of nanowires 30 nm in diameter. On the other hand, galvanostatic measurements show a 20 times higher specific capacity for PEDOT‐nw (516.12 Fg−1) compared to PEDOT bulk (19.62 Fg−1). In the case of PEDOT‐nw, it is also worth noting a 92.3% retention capacity after 1000 successive charge/discharge cycles. Thus, it is verified that PEDOT‐nw modified electrodes are an excellent candidate to be used in polymer‐based capacitors.
Curing reactions of liquid hydridopolycarbosilanes with vinyl or allyl groups
Authors: Qian Binjie , Cao Biwen , Chu Mingyu , Li Yubing , Ma Hanyu , Guo Rongye , Wan Liqiang 
Published: August 2023

AbstractLiquid hydridopolycarbosilanes (LHPCS) with vinyl or allyl groups have attracted significant research interest due to their low curing temperature and high ceramic yield. In this study, allyl‐terminated hydridopolycarbosilane (AHPCS) and vinyl‐terminated hydridopolycarbosilane (VHPCS) were prepared by the Grignard coupling reaction and characterized by NMR and Fourier infrared spectroscopy (FTIR). And the curing reactions of AHPCS and VHPCS with or without initiators (dicumyl peroxide [DCP], tert‐Butyl peroxybenzoate [TBPB]) or Karstedt catalyst were investigated using differential scanning calorimetry and in‐situ FTIR. The main curing reactions of VHPCS and AHPCS are the double bond free radical polymerization and hydrosilylation reaction, respectively. The addition of initiators and Karstedt catalyst could promote the corresponding curing reaction and increase the weight residual at 1000°C. The thermal properties of the cured resins were investigated by thermogravimetric analysis. The addition of initiators and catalyst could significantly increase the weight residual of VHPCS and AHPCS, respectively. The addition of the Karstedt catalyst increased the weight residual of AHPCS from 75.6% to 83.1%. In addition, the addition of TBPB and DCP increased the weight residual of VHPCS from 74.2% to 81.2% and 80.2%, respectively.
Advances in Organic Thermoelectric Devices for Multiple Applications
Authors: Ma Yingqiao , Di Chong‐an , Zhu Daoben 
Published: August 2023

AbstractOrganic thermoelectric (OTE) devices composed of π‐conjugated molecules are the basic building blocks for self‐powered integrated organic electronics. In addition to molecular design and doping strategies, the highly tunable energy conversion process in OTE devices has drawn significant research interest. Specifically, the diverse physical properties of organic semiconductors, novel device geometry design, and advanced fabrication techniques combined enable the OTE device to be a powerful multiscale platform from single‐molecular scale to thin films for modulating the TE performance, studying the fundamental charge transport mechanism, exploring novel energy conversion phenomenon, and realizing various functionalities. Here, the authors comprehensively review the recent experimental and theoretical advances in related topics of OTE devices, including multifunctional, external physical fields, and temperature modulated, as well as quantum OTE devices. The remaining issues and perspectives toward future OTE device research are also discussed at the end.
The clock gene Cryptochrome 1 is involved in the photoresponse of embryonic hatching behavior in Bombyx mori
Authors: Yuan Xiao‐Nan , Luo Cheng , Zhao Qi‐Fan , Zhong Si‐Yin , Hang Qi , Dai Tai‐Ming , Pan Zhong‐Hua , Sima Yang‐Hu , Qiu Jian‐Feng , Xu Shi‐Qing 
Published: August 2023

AbstractThe hatching of insect eggs is a classic circadian behavior rhythm controlled by the biological clock. Its function is considered to impose a daily rhythm on the embryo, allowing it to hatch within a permissible time window. However, the molecular pathways through which the clock affects embryonic hatching behavior remain unclear. Here, we utilized a clock gene Cryptochrome1 (Cry1) knockout mutant to dissect the pathways by which the circadian clock affects embryonic hatching rhythm in the silkworm. In the Cry1 mutant, the embryo hatching rhythm was disrupted. Under the constant light or constant dark incubation conditions, mutant embryos lost their hatching rhythm, while wild‐type embryos hatch exhibiting free‐running rhythm. In the light‐dark cycle (LD), the hatching rhythm of CRY1‐deficient silkworms could not be entrained by the LD photoperiod during the incubation period. The messenger RNA levels and enzymatic activities of Cht and Hel in the mutant embryos were significantly reduced at circadian time 24 (CT24). Transcriptome analysis revealed significant differences in gene expression at CT24 between the Cry1 knockout mutant and the wild‐type, with 2616 differentially expressed genes identified. The enriched Gene Ontology pathway includes enzyme activity, energy availability, and protein translation. Short neuropeptide F signaling was reduced in the CT24 embryonic brain of the mutant, the expression of the neuropeptide PTTH was also reduced and the rhythm was lost, which further affects ecdysteroid signaling. Our results suggested that the silkworm circadian clock affects neuropeptide‐hormone signaling as well as physiological functions related to hatching, which may regulate the hatching rhythm.
Repurposing of investigational cancer drugs: Early phase discovery of dengue virus NS2B/NS3 protease inhibitors
Authors: Saleem Hafiza N. , Kousar Summara , Jiskani Ammar Hassan , Sohail Iqra , Faisal Amir , Saeed Muhammad 
Published: August 2023

AbstractDengue fever is a neglected vector‐borne disease and is more prevalent in Asia. Currently, no specific treatment is available. Given the time and cost of de novo drug discovery and development, an alternative option of drug repurposing is becoming an effective tool. We screened a library of 1127 pharmacologically active, metabolically stable, and structurally diverse small anticancer molecules to identify inhibitors of the dengue virus (DENV) NS2B/NS3 protease. Enzyme kinetics and inhibition data revealed four B‐cell lymphoma 2 inhibitors, that is, ABT263, ABT737, AT101, and TW37, as potent inhibitors of DENV NS2B/NS3 protease, with IC50 values of 0.86, 1.15, 0.81, and 0.89 µM, respectively. Mode of inhibition experiments and computational docking analyses indicated that ABT263 and ABT737 are competitive inhibitors, whereas AT101 and TW37 are noncompetitive inhibitors of the protease. With further evaluation, the identified inhibitors of the DENV NS2B/NS3 protease have the potential to be developed into specific anti‐dengue therapeutics.
Role and Therapeutic Potential for Targeting Fibroblast Growth Factor 10/FGFR1 in Relapsed Rheumatoid Arthritis
Authors: Meng Xiaohui , Chen Zechuan , Li Teng , Nie Zhixing , Han Haihui , Zhong Sheng , Yin Zhinan , Sun Songtao , Xie Jun , Shen Jun , Xu Xirui , Gao Chenxin , Ran Lei , Xu Bo , Xiang Zheng , Wang Jianye , Sun Pengfei , Xin Pengfei , A Xinyu , Zhang Chengbo , Qiu Guowei , Gao Huali , Bian Yanqin , Xu Minglan , Cao Boran , Li Fang , Zheng Lin , Zhang Xiaoming , Xiao Lianbo 
Published: August 2023

ObjectiveFibroblast‐like synoviocytes (FLSs) contribute to inflammation and joint damage in rheumatoid arthritis (RA). However, the regulatory mechanisms of FLSs in relapse and remission of RA remain unknown. Identifying FLS heterogeneity and their underlying pathogenic roles may lead to discovering novel disease‐modifying antirheumatic drugs.MethodsCombining single‐cell RNA sequencing (scRNA‐seq) and spatial transcriptomics, we sequenced six matched synovial tissue samples from three patients with relapse RA and three patients in remission. We analyzed the differences in the transcriptomes of the FLS subsets between the relapse and remitted phases. We validated several key signaling pathways using quantitative real‐time PCR (qPCR) and multiplex immunohistochemistry (mIHC). We further targeted the critical signals in vitro and in vivo using the collagen‐induced arthritis (CIA) model in rats.ResultsLining and sublining FLS subsets were identified using scRNA‐seq. Differential analyses indicated that the fibroblast growth factor (FGF) pathway was highly activated in the lining FLSs from patients with relapse RA for which mIHC confirmed the increased expression of FGF10. Although the type I interferon pathway was also activated in the lining FLSs, in vitro stimulation experiment suggested that it was independent of the FGF10 pathway. FGF10 knockdown by small interfering RNA in FLSs significantly reduced the expression of receptor activator of NF‐κB ligand. Moreover, recombinant FGF10 protein enhanced bone erosion in the primary human‐derived pannus cell culture, whereas the FGF receptor (FGFR) 1 inhibitor attenuated this process. Finally, administering an FGFR1 inhibitor displayed a therapeutic effect in a CIA rat model.ConclusionThe FGF pathway is a critical signaling pathway in relapse RA. Targeted tissue‐specific inhibition of FGF10/FGFR1 may provide new opportunities to treat patients with relapse RA.
ALKBH5‐Mediated RNA m6A Methylation Regulates the Migration, Invasion, and Proliferation of Rheumatoid Fibroblast‐Like Synoviocytes
Authors: Kuang Yu , Li Ruiru , Wang Jingnan , Xu Siqi , Qiu Qian , Lin Shuibin , Liu Di , Shen Chuyu , Liu Yingli , Xu Meilin , Lin Wei , Zhang Shuoyang , Liang Liuqin , Xu Hanshi , Xiao Youjun 
Published: August 2023

ObjectiveFibroblast‐like synoviocytes (FLSs) are critical for promoting joint damage in rheumatoid arthritis (RA). N6‐methyladenosine (m6A) modification plays key roles in various diseases, but its role in the pathogenesis of RA is largely unknown. Here, we investigate increased demethylase ALKBH5 promotion of proliferation, migration, and invasion of RA FLSs via regulating JARID2 expression.MethodsALKBH5 expression in FLSs was evaluated using real‐time quantitative polymerase chain reaction (RT‐qPCR) and Western blot. 5‐ethynyl‐2′‐deoxyuridine, scratch wound healing, and transwell assays were implemented to determine the role of ALKBH5 on RA FLS proliferation, mobility, and migration. Then, m6A sequencing combined with RNA sequencing was performed to identify the potential targets of ALKBH5. RNA immunoprecipitation and RNA pulldown were then used to validate the interaction between the protein and messenger RNA (mRNA). Collagen‐induced arthritis (CIA) and delayed‐type hypersensitivity arthritis (DTHA) models were further established to assess the therapeutic potency of ALKBH5 in vivo.ResultsWe demonstrated that ALKBH5 expression was increased in FLSs and synovium from RA. Functionally, ALKBH5 knockdown inhibited the proliferation, migration, and invasion of RA FLSs, whereas overexpression of ALKBH5 displayed the opposite effect. Mechanistically, ALKBH5 mediated m6A modification in the JARID2 mRNA and enhanced its mRNA stability in cooperation with IGF2BP3. Intriguingly, the severity of arthritis was attenuated in mice with DTHA and ALKBH5 knockout or rats with CIA and intra‐articular injection of ALKBH5 short hairpin RNA.ConclusionOur findings suggest that ALKBH5‐mediated m6A modification is crucial for synovial hyperplasia and invasion in RA. ALKBH5 might be a potential therapeutic target for RA and even for dysregulated fibroblasts in a wide range of diseases.
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