bluuebunny/crossref_metadata_2025_split huggingface dataset:
Benzothiazole‐based chemosensor: a quick dip into its anion sensing mechanism
Authors: Kediya Siddhi , Manhas Anu , Jha Prakash C. 
Published: September 2021

AbstractDensity functional theory (DFT) and time‐dependent density functional theory (TD‐DFT) methods have been applied to decipher the F− anion sensing mechanism of a fluorescent probe N‐(2‐(benzothiazole‐2‐yl)phenyl)‐4‐methoxybenzamide (4). The amidic proton (N–H) of the selected probe may exhibit an intramolecular hydrogen bond (IMHB) with the nitrogen atom of benzothiazole moiety. The weak IMHB of N24–H26‐‐‐N12 in the excited state favors reverse proton transfer process in 4. In the ground state of 4, the F− anion interacts via F−‐‐‐H–N bond, which immediately deprotonates the amidic proton, leading to the distortion of the geometry. Subsequent to deprotonation, the significant intramolecular charge transfer (ICT) character was observed in 4. On account of the significant ICT process, the redshift in absorption and emission spectra was observed. These outcomes were employed to delineate the sensing mechanism of molecule 4.
Physical activity and childhood asthma control: Mediation and moderation role of body mass index
Authors: Zhang Zeyi , Wang Liwen , Wang Jingjing , Jia Yuanmin , Yi Mo , Chen Ou 
Published: September 2021

AbstractBackgroundPhysical activity (PA) may be associated with asthma management. Whether PA is associated with childhood asthma control is not well studied, and the role of body mass index (BMI) in this association remains unclarified. This study aimed to evaluate the association between PA and childhood asthma control and investigate the potential mediating and modifying role of BMI in the association.MethodsThis cross‐sectional study involved 303 asthmatic children aged 5–14 years. Information on PA was collected from children. Asthma control was assessed using a valid questionnaire by children and their parents. Height and weight were objectively measured and BMI was calculated and classified. Multiple linear regression, mediation, and moderation analyses were performed.ResultsThere was a positive association between PA and childhood asthma control with adjustment for variates (B = 0.144, p = .012). Mediation analysis indicated that BMI status negatively mediated the association (estimate = −0.656, 95% credit interval: −1.645, −0.006), and such indirect effect is lower than the direct effect (indirect effect/direct effect = 58.3%). No evidence of effect modification by BMI was observed (Pinteraction = 0.516). Stratified analyses showed that the significant association was only observed in children with overweight/obesity (normal weight: B = 0.863, p = .189; overweight/obese: B = 1.494, p = .044).ConclusionsIncreased PA is associated with improved childhood asthma control, especially for children with higher BMI. BMI exhibited a negative effect but not effect modification in this association. PA should be encouraged to improve asthma control for asthmatic children. Besides, mechanisms other than weight loss may explain the association.
Topology of phosphatidylserine synthase 1 in the endoplasmic reticulum membrane
Authors: Miyata Non , Kuge Osamu 
Published: September 2021

AbstractPhosphatidylserine (PS) synthase 1 (PSS1) of mammalian cells is a multiple membrane‐spanning protein of the endoplasmic reticulum (ER) and regulated by inhibition with the product PS. Alanine‐scanning mutagenesis of PSS1 has revealed eight amino acid residues as those crucial for its activity and six as those important for its regulation. Furthermore, three missense mutations in the human PSS1 gene, which lead to regulatory dysfunctions of PSS1 and are causative of Lenz–Majewski syndrome, have been identified. In this study, we investigated the membrane topology of PSS1 by means of epitope insertion and immunofluorescence. According to a 10‐transmembrane segment model supported by topology analysis of PSS1, all the 8 amino acid residues crucial for the enzyme activity were localized to the luminal side of the lipid bilayer or the lumen of the ER, whereas all the 9 amino acid residues involved in the enzyme regulation were localized to the cytosol or the cytoplasmic side of the lipid bilayer of the ER. This localization of the functional amino acid residues suggests that PSS1 is regulated by inhibition with PS in the cytoplasmic leaflet of the ER membrane and synthesizes PS at the luminal leaflet.
Compendium of causative genes and their encoded proteins for common monogenic disorders
Authors: Apgar Tucker L. , Sanders Charles R. 
Published: September 2021

AbstractA compendium is presented of inherited monogenic disorders that have a prevalence of >1:20,000 in the human population, along with their causative genes and encoded proteins. “Simple” monogenic diseases are those for which the clinical features are caused by mutations impacting a single gene, usually in a manner that alters the sequence of the encoded protein. Of course, for a given “monogenic disorder”, there is sometimes more than one potential disease gene, mutations in any one of which is sufficient to cause phenotypes of that disorder. Disease‐causing mutations for monogenic disorders are usually passed on from generation to generation in a Mendelian fashion, and originate from spontaneous (de novo) germline founder mutations. In the past monogenic disorders have often been written off as targets for drug discovery because they sometimes are assumed to be rare disorders, for which the meager projected financial payoff of drug discovery and development has discouraged investment. However, not all monogenic diseases are rare. Here, we report that that currently available data identifies 72 disorders with a prevalence of at least 1 in 20,000 humans. For each, we tabulate the gene(s) for which mutations cause the spectrum of phenotypes associated with that disorder. We also identify the gene and protein that most commonly causes each disease. 34 of these disorders are caused exclusively by mutations in only a single gene and encoded protein.
Lymphocyte‐to‐monocyte ratio is a predictor of clinically significant prostate cancer at prostate biopsy
Authors: Cho Min Chul , Yoo Sangjun , Choo Min Soo , Son Hwancheol , Jeong Hyeon 
Published: September 2021

AbstractBackgroundInflammation plays critical roles at different stages of carcinogenesis and cancer progression. Several previous studies showed conflicting results for the predictive role of systemic inflammation markers in the detection of clinically significant prostate cancers (CSPCs). We aimed to determine the predictive roles of lymphocyte‐to‐monocyte (LMR) and eosinophil‐to‐lymphocyte ratios (ELR) in the detection of CSPC at standard 12‐core transrectal ultrasound‐guided prostate biopsy (12‐core‐TRUS‐Bx) using our large‐cohort database.MethodsClinical and pathological data of a total of 1740 men, who underwent initial standard 12‐core TRUS‐Bx, were analyzed. LMR and ELR were calculated from the prebiopsy complete blood count. Definitions of CSPC, LMR, and ELR were “Gleason grade group ≥2,” “the lymphocyte counts/the monocyte counts,” and “the eosinophil counts/the lymphocyte counts,” respectively.ResultsMedian (interquartile range) of serum prostate‐specific antigen (PSA) level and prostatic volume before TRUS‐Bx were 7.59 (5.02–13.12) ng/ml and 38.2 (29.0–52.9) ml, respectively. Benign prostatic lesions, clinically insignificant prostate cancers (CIPCs), and CSPCs were detected in 1179 (67.8%), 180 (10.3%), and 381 (21.9%) patients, respectively. The patients with CSPCs had older age, a higher prevalence of diabetes mellitus or hypertension, a higher rate of digital rectal examination abnormality, higher serum PSA level, lower serum testosterone level, and lower LMR than those with benign lesions or CIPCs. However, there was no difference in ELR among the three (benign lesions, CIPCs and CSPCs). In all the patients, multivariate regression analysis showed that lower LMR was an independent predictor of CSPCs compared with ELR. In the subset of men with prostate volume ≥39.3 ml, lower LMR was an independent predictor of CSPCs compared with ELR. In the subset of men with prostate volume <39.3 ml, men with lower LMR showed the tendency of having a higher probability of CSPCs without any statistical significance on the contrary to ELR.ConclusionsOur data indicate that LMR can play an independent predictive role in the detection of CSPCs at initial 12‐core‐TRUS‐Bx compared with ELR. The predictive role of the LMR appears to be significant for men with larger prostate volume rather than those with smaller prostate volume.
Continuity of care in acute survivorship phase, and short and long‐term outcomes in prostate cancer patients
Authors: Chhatre Sumedha , Malkowicz S. Bruce , Jayadevappa Ravishankar 
Published: September 2021

AbstractContinuity of care is important for prostate cancer care due to multiple treatment options, and prolonged disease history. We examined the association between continuity of care and outcomes in Medicare beneficiaries with localized prostate cancer, and the moderating effect of race using Surveillance, Epidemiological, and End Results (SEER) – Medicare data between 2000 and 2016. Continuity of care was measured as visits dispersion (continuity of care index or COCI), and density (usual provider care index or UPCI) in acute survivorship phase. Outcomes were emergency room visits, hospitalizations, and cost during acute survivorship phase and mortality (all‐cause and prostate cancer‐specific) over follow‐up phase. Higher continuity of care was associated with improved outcomes, and interaction between race and continuity of care was significant. Continuity of care during acute survivorship phase may lower the racial disparity in prostate cancer care. Future research can analyze the mechanism of the process.
Robust finite‐iteration tracking of discrete‐time systems in repetitive process setting via ILC scheme
Authors: Yang Rongni , Gong Yingjie , Liu Guo‐Ping 
Published: September 2021

AbstractIn this work, based on the robust iterative learning control (ILC) scheme, the finite‐iteration tracking control is investigated for discrete‐time linear systems in repetitive process setting with external disturbances. First, the concept of finite‐iteration tracking is defined. Then by utilizing the lifted‐vector‐matrix technique, the discrete‐time linear system can be reformulated as an input–output transmission equation. Moreover, a P‐type ILC scheme is employed, and then the finite‐iteration tracking of the resultant system is guaranteed with the designed iterative learning controller. Meanwhile, the settling iteration can be explicitly obtained. Particularly, the case of data loss occurred during information transmission is also studied, and sufficient conditions are presented such that the finite‐iteration tracking can be achieved in a finite interval. Lastly, the effectiveness and applicability of the presented method are validated via a numerical simulation.
Catalytic Function of Cu (I) and Cu (II) in Total Synthesis of Alkaloids
Authors: Heravi Majid M. , Abedian‐Dehaghani Neda , Zadsirjan Vahideh , Rangraz Yalda 
Published: September 2021

AbstractRecently, Cu‐catalyzed carbon‐carbon and carbon (sp2)‐nitrogen bond formation have attracted much attention. Nowadays, they are widely being applied to the total synthesis of an extensive assortment of natural products with complex structures. Natural products chemistry is a discrete part of chemical research, which has been significant in the history of chemistry, the sourcing of substances in early preclinical drug discovery research, pharmacology and discovery of folk medicine. Alkaloids are a class of natural product that contains at least one nitrogen atom. They have diverse and important physiological effects on humans and other animals. In fact, as many as one‐quarter of higher plants are estimated to contain alkaloids, of which several thousand (approximately 12000) different types have so far been identified. In this review, we try underscore the total synthesis of naturally occurring alkaloids in which Cu‐promoted reaction is at least one of the vital step. Indeed, in this comprehensive review, the impact of Cu‐catalyzed cross‐coupling reactions in the total synthesis of natural products with a prominence on the evolution of strategies due to copper catalysis will be generally surveyed.
Achieving Complete Hydrogen Evolution from N2H4BH3 over Mesoporous TiO2 Immobilized NiPt Alloy Nanoparticles
Authors: Liu Mengmeng , Zhou Liu , Wan Chao , Ye Mingfu , Xu Lixin 
Published: September 2021

AbstractMesoporous materials, as the supports in the fabrication of catalyst, are beneficial for the dispersion of the metal active sites in the pores. Herein, highly dispersed Ni−Pt alloy nanoparticles deposited on mesoporous TiO2 was facilely and successfully fabricated via a one‐step reduction method towards hydrogen generation from N2H4BH3. Unexpectedly, the optimized Ni0.5Pt0.5/meso‐TiO2 exhibits superior catalytic property and 100 % selectivity with a turnover frequency (TOF) value of 77.06 min−1 in the existence of sodium hydroxide at 323 K. Meanwhile, the catalyst achieves high stability and reusability even after five recycles. This study provides one new way for preparation of mesoporous TiO2 supported metal NPs for hydrogen generation reaction
Interphase Building of Organic–Inorganic Hybrid Polymer Solid Electrolyte with Uniform Intermolecular Li+ Path for Stable Lithium Metal Batteries
Authors: Liu Peng , Zhang Jianwei , Zhong Lei , Huang Sheng , Gong Li , Han Dongmei , Wang Shuanjin , Xiao Min , Meng Yuezhong 
Published: September 2021

AbstractLithium (Li) metal has been generally noticed as the most prospective anode for next‐generation batteries attributed to its outstanding theoretical capacity and low electrochemical potential. Nevertheless, the unstable solid‐electrolyte interphase (SEI) and uncontrollable dendrite growth cause poor reversibility and fetter the practical application of Li metal anodes. Herein, a new organic–inorganic hybrid polymer artificial SEI (POSS‐LiBMAB) layer with uniform lithium‐ion paths at a molecular level is designed to stabilize Li metal anodes. The SEI layer is constructed by the thiol–ene “click chemistry” reaction between inorganic polyhedral oligomeric silsesquioxane containing eight‐mercaptopropyl (POSS‐SH) with lithium bis (allylmalonato) borate (LiBMAB) on Li foil. What is more, the POSS‐LiBMAB film can be cross‐linked and self‐reinforced via intermolecular SC bonds. Benefiting from its flexible polymeric covalent structure and noble inorganic Si8O16‐type cubes, the organic–inorganic hybrid polymer layer is flexible and effectively tolerates the volume change of Li metal anodes during plating/stripping cycles. In addition, this layer shows loose and uniformly distributed electrostatic interaction between Li+ and charge delocalized sp3 boron–oxygen anions, which aids to form a uniform intermolecular Li+ path regulating the homogeneous distribution of Li+ flux on Li anodes. Finally, the designed POSS–LiBMAB layer has high ionic conductivity and lithium‐ion transference number, which can effectively promote Li+ diffusion and guide Li deposition beneath the SEI layer. Therefore, with the protection of the POSS‐LiBMAB layer, the Li metal anode exhibits stable cycling at 5 mA cm−2 for more than 1000 h, and the LFP//Li full cells also present outstanding cycling stability.
Magnetic Control and Real‐Time Monitoring of Stem Cell Differentiation by the Ligand Nanoassembly
Authors: Lee Sungkyu , Kim Myeong Soo , Patel Kapil D. , Choi Hyojun , Thangam Ramar , Yoon Jinho , Koo Thomas Myeongseok , Jung Hee Joon , Min Sunhong , Bae Gunhyu , Kim Yuri , Han Seong‐Beom , Kang Nayeon , Kim Minjin , Li Na , Fu Hong En , Jeon Yoo Sang , Song Jae‐Jun , Kim Dong‐Hwee , Park Steve , Choi Jeong‐Woo , Paulmurugan Ramasamy , Kang Yun Chan , Lee Heon , Wei Qiang , Dravid Vinayak P. , Lee Ki‐Bum , Kim Young Keun , Kang Heemin 
Published: September 2021

AbstractNative extracellular matrix (ECM) exhibits dynamic change in the ligand position. Herein, the ECM‐emulating control and real‐time monitoring of stem cell differentiation are demonstrated by ligand nanoassembly. The density of gold nanoassembly presenting cell‐adhesive Arg‐Gly‐Asp (RGD) ligand on Fe3O4 (magnetite) nanoparticle in nanostructures flexibly grafted to material is changed while keeping macroscale ligand density invariant. The ligand nanoassembly on the Fe3O4 can be magnetically attracted to mediate rising and falling ligand movements via linker stretching and compression, respectively. High ligand nanoassembly density stimulates integrin ligation to activate the mechanosensing‐assisted stem cell differentiation, which is monitored via in situ real‐time electrochemical sensing. Magnetic control of rising and falling ligand movements hinders and promotes the adhesion‐mediated mechanotransduction and differentiation of stem cells, respectively. These rising and falling ligand states yield the difference in the farthest distance (≈34.6 nm) of the RGD from material surface, thereby dynamically mimicking static long and short flexible linkers, which hinder and promote cell adhesion, respectively. Design of cytocompatible ligand nanoassemblies can be made with combinations of dimensions, shapes, and biomimetic ligands for remotely regulating stem cells for offering novel methodologies to advance regenerative therapies.
In Situ Optical Studies on Morphology Formation in Organic Photovoltaic Blends
Authors: Liu Yanfeng , Yangui Aymen , Zhang Rui , Kiligaridis Alexander , Moons Ellen , Gao Feng , Inganäs Olle , Scheblykin Ivan G. , Zhang Fengling 
Published: September 2021

AbstractThe efficiency of bulk heterojunction (BHJ) based organic solar cells is highly dependent on the morphology of the blend film, which is a result of a fine interplay between donor, acceptor, and solvent during the film drying. In this work, a versatile set‐up of in situ spectroscopies is used to follow the morphology evolution during blade coating of three iconic BHJ systems, including polymer:fullerene, polymer:nonfullerene small molecule, and polymer:polymer. the drying and photoluminescence quenching dynamics are systematically study during the film formation of both pristine and BHJ films, which indicate that the component with higher molecular weight dominates the blend film formation and the final morphology. Furthermore, Time‐resolved photoluminescence, which is employed for the first time as an in situ method for such drying studies, allows to quantitatively determine the extent of dynamic and static quenching, as well as the relative change of quantum yield during film formation. This work contributes to a fundamental understanding of microstructure formation during the processing of different blend films. The presented setup is considered to be an important tool for the future development of blend inks for solution‐cast organic or hybrid electronics.
PolyRec Gesture Design Tool: A tool for fast prototyping of gesture‐based mobile applications
Authors: Bufano Roberto , Costagliola Gennaro , De Rosa Mattia , Fuccella Vittorio 
Published: September 2021

AbstractIn this article, we present PolyRec Gesture Design Tool (PolyRec GDT), a tool that allows the definition of gesture sets for mobile applications. It supports the entire process of designing gesture sets, from collecting gestures to analyzing and exporting the set created for use in a mobile application. It is equipped with the PolyRec gesture recognizer, a unistroke recognizer based on template matching with good accuracy and performances while still allowing support for other recognizers. The main features of PolyRec GDT include the ability to collect gestures directly on mobile devices, to detect similarities between gestures to help the designer to detect ambiguities in the design phase, and the ability to automatically select the most representative gestures for each gesture class by using a clustering technique to increase recognition speed without affecting accuracy. Experimental results show that this latter feature allows an increase in accuracy compared with when the same operation is performed manually by developers or randomly by software. Finally, a user study was carried out to evaluate PolyRec GDT, in which participants were asked to use it to add gesture functionality to a mobile application. The results showed that with the support of PolyRec GDT this operation took only a few minutes for participants with mobile development experience, whereas it would have taken much longer without the support of PolyRec GDT.
PESTLE+ risk analysis model to assess pandemic preparedness of digital ecosystems
Authors: Anwar Memoona J. , Gill Asif Q. , Fitzgibbon Anthony D. , Gull Inam 
Published: September 2021

AbstractCOVID‐19 pandemic has affected every country in many ways. Its substantial economic impacts are causing businesses to fade, pushing many nations into an economic downturn. This exposes organizations worldwide to unique risks which cannot be foreseen with conventional methods of risk analysis. This research is part of a broader action design research project conducted in collaboration with industry partner to answer an important research question: How to extend PESTLE risk analysis model to assess pandemic preparedness? In this context, the health factor is added to extend the traditional PESTLE risk analysis model. Furthermore, the interdependence between PESTLE factors has also been investigated, which has not been discussed before. The contribution of this research is the novel PESTLE+ risk analysis model that will help individuals and businesses to improve their understanding of the health crisis, such as the COVID‐19, adjust accordingly and eventually endure the ongoing crisis, which is driving most businesses into liquidation.
Analysis of actual confinement provided by high‐strength steel spirals in reactive powder concrete of anchorage zones
Authors: Li Sheng , Zheng Wenzhong , Zhou Wei , Fan Mengmei , Gai Liqi 
Published: September 2021

AbstractThe local bearing strength and deformation capacity of the reactive powder concrete (RPC) specimens can be dramatically improved by arranging steel spirals. In effect, the actual stress level of spirals is closely correlated with the compression behavior of concrete loaded over limited area. However, limited work has been focused on the actual stress of steel spirals in RPC. To obtain the actual confinement provided by the high‐strength spirals in anchorage zones, 10 RPC specimens loaded over limited area were conducted. The load–spiral strain relationships and the deformation–spiral strain responses were discussed to investigate the lateral response of RPC. The high‐strength spirals failed to reach the yield strength at the peak load, and the actual strain of the spirals ranged from 1800 to 2500 με, while the residual strength of the high‐strength spirals could be fully utilized after the peak load. The actual stress of the spirals at the peak load decreased with the concrete compression strength, which increased the volumetric ratio of spirals. Furthermore, the actual stress predicting equation of spirals in RPC at the peak load was developed based on the results. Meanwhile the formula for calculating the bound value of the volumetric ratio of spirals was derived to determine whether the spirals yielded at the peak load. In view of the above analyses, a method for calculating the local bearing capacity considering the actual stress of the spirals was further developed.