bluuebunny/crossref_metadata_2025_split huggingface dataset:
A new approach toward modeling of mixed‐gas sorption in glassy polymers based on metaheuristic algorithms
Authors: Khoshhal Salestan Saeed , Rahimpour Ahmad , Abedini Reza , Soleimanzade Mohammad Amin , Sadrzadeh Mohtada 
Published: January 2022

AbstractModeling mixed‐gas sorption has always been associated with computational challenges due to the existence of two or more conflicting objective functions. This study aims to use an artificial intelligence approach toward modeling mixed‐gas sorption in PIM‐1 and TZ‐PIM polymeric membranes. Non‐dominated sorting genetic algorithm (NSGA‐II) has been applied to identify the extended Henry‐Langmuir (EHL) isotherm based on CO2‐CH4 mixed‐gas sorption data. Also, the group method of data handling (GMDH) neural network is implemented to obtain a formula for the calculation of equilibrium partial pressure corresponding to three effective parameters, which are easily measurable. The formula provides an accurate estimation from the equilibrium relationship between the partial pressure of each gas in the binary gas mixtures over the PIM‐1 and TZ‐PIM membranes. Eventually, the calculated coefficients of EHL isotherm and obtained formula for computing the partial pressure of each component are simultaneously applied into the isotherm model to predict the mixed‐gas sorption behavior. The results showed that the computed lines well reproduce the experimental data points, proving that the applied artificial intelligence approach offers a suitable approximation for mixed‐gas sorption.
Heterotic String Model Building with Monad Bundles and Reinforcement Learning
Authors: Constantin Andrei , Harvey Thomas R. , Lukas Andre 
Published: January 2022

AbstractWe use reinforcement learning as a means of constructing string compactifications with prescribed properties. Specifically, we study heteroticGUT models on Calabi‐Yau three‐folds with monad bundles, in search of phenomenologically promising examples. Due to the vast number of bundles and the sparseness of viable choices, methods based on systematic scanning are not suitable for this class of models. By focusing on two specific manifolds with Picard numbers two and three, we show that reinforcement learning can be used successfully to explore monad bundles. Training can be accomplished with minimal computing resources and leads to highly efficient policy networks. They produce phenomenologically promising states for nearly 100% of episodes and within a small number of steps. In this way, hundreds of new candidate standard models are found.
Cu‐Promoted Pt/Ce0.5Zr0.5Ox Catalyst for Ammonia Production Reaction of Passive SCR from Nitric Oxide and Hydrogen
Authors: Liu Min , Yan Ruining , Wang Yinan , Zhao Xuteng , Dongdong Guo , Honglin Cao , Zhan Reggie , Lin He 
Published: January 2022

AbstractIn response to stricter emission regulations, lean‐burn engines have attracted more and more attention. However, lean burn engines would inevitably lead to the increase in NOx emissions. The researchers combined Three‐Way Catalyst (TWC) and Selective Catalytic Reduction (SCR) to propose “passive SCR”, which makes the engine periodically switch between rich and lean burn. During rich combustion, ammonia is produced by the TWC catalyst, stored in the downstream SCR, and reacts with NOx during lean combustion, in which increasing the ammonia yield on the TWC catalyst is the key. In this study, the self‐propagating high‐temperature synthesis method was used to modify the catalyst by adding copper to improve the ammonia production efficiency. The conversion rate of catalysts with different copper doping ratios from NO to ammonia was measured. Through XRD, BET, H2‐TPR, TEM, HRTEM, XPS, in‐situ DRIFTS, etc., the improvement mechanism of copper doping was analysed. The results showed that Pt0.01Cu0.1Ce0.45Zr0.45Ox had the highest catalytic activity, the widest reaction temperature window (300–550 °C) with the conversion greater than 96 %. The characterization results showed that appropriate amount of copper doping can adjust the valence distribution, form more oxygen vacancies, and improve the distribution of active species. The in‐situ DRIFTS further demonstrated that the conversion from bridged to monodentate and bidentate nitrate may be the key factors on the catalyst surface.
Rational Design of 0D/2D WO3/g‐C3N4 Z‐scheme Hybrid for Improving Photocatalytic Dye Degradation
Authors: Okoroafor Esther C. , Maouche Chanez , Liu Qinqin , Hong Xiaoyang , Rao Shaosheng , Umba F. M. , Yang J. 
Published: January 2022

AbstractA Zero‐dimensional/two‐dimensional (0D/2D) tungsten trioxide/graphitic carbon nitride (WO3/g‐C3N4) Z‐scheme hybrid was prepared by employing a simple calcination process. Then, the photocatalytic property of the WO3/g‐C3N4 hybrids was assessed through their efficiency in the degradation of toxic industrial dye pollutant, Rhodamine B (RhB) and phenol under visible light irradiation. From the results and analysis, the 1 % WO3/g‐C3N4 composite with a larger Brunauer‐Emmett‐Teller (BET) surface area of 41.14 m2 g−1 compared to the pristine g‐C3N4 (25.25 m2 g−1) presented the uppermost improvement in the photocatalytic performance contrasted to both WO3 and g‐C3N4. It achieved the degradation of RhB and phenol with an efficiency of 96 % in 15 min and 98.5 % in 30 min, respectively. X‐ray photoelectron spectroscopy (XPS) results confirmed the existence of the internal electric field. The enhanced activity was attributed to the homogeneous distribution of the WO3 nanoparticles on the g‐C3N4 nanosheets with intimate interface and matched band gap structure which favored the construction of the Z‐scheme hybrid, therefore boosting the electron‐hole separation efficiency and maintaining the strong redox capability for photocatalytic degradation.
Design and Synthesis of Angiotensin Converting Enzyme (ACE) Inhibitors: Analysis of the Role of Tetrazole Ring Appended to Biphenyl Moiety
Authors: Bayannavar Praveen K. , Kamble Ravindra R. , Joshi Shrinivas D. , Nesaragi Aravind R. , Shaikh Saba Kauser J. , Sudha Belgur S. , Dodamani Suneel S. , Hoolageri Swati R. 
Published: January 2022

AbstractNovel biphenyl compounds bearing triazolones have been designed and synthesized with an aim to explore the paramount set of molecules as antihypertensive agents. Our efforts have been directed towards the synthesis of Triazolyl‐biphenyl compounds containing different groups at ortho position of the biphenyl ring. In particular, cyano, tetrazole and oxadiazole substituents at the ortho position of biphenyl ring were synthesized and structures of all these previously unknown 16 molecules were confirmed by their spectral characterizations. Binding modes for these compounds were evaluated by docking in a theoretical Human angiotensin converting enzyme (ACE) in complex with Lisinopril. These novel compounds were evaluated for the in vitro ACE inhibition and the results were compared to Lisinopril. Results indicated that the tetrazole containing compounds have shown significant inhibitory activity than the other compounds which are in good agreement with the docking results.
Exploring New Tetrahydrothienopyridine Derivatives as Platelet Agglutination Inhibitors: Synthesis, Biological Evaluation and In Silico Study
Authors: Lodha Kamlesh K. , Wavhal Deepak S. , Bhalekar Sujit B. , Meshram Rohan J. , Shinde Vaishali S. 
Published: January 2022

AbstractThe P2Y12 receptor is the major target for antithrombic drugs which plays a key role in platelet activation. New derivatives of 4,5,6,7‐tetrahydrothieno[3,2‐c]pyridine (THP) were designed targeting P2Y12 receptor. An efficient route was developed for synthesis of THP derivatives and subsequently evaluated for their antiplatelet agglutination activity. Amongst the synthesized THP derivatives (4 a–4 g), the compounds 4 a and 4 g displayed significant activity (with 88.25 and 70.17 % inhibition) as compared to other analogs and comparable with that of the reference drugs, aspirin and prasugrel. Data extracted from computational chemistry techniques such as molecular docking, provided the structural rationale for the observed platelet agglutination inhibition by the newly synthesized tetrahydrothienopyridine analogs. We proposed the involvement of residues such as Cys‐194 in the formation of the covalent adduct with the active metabolite of tetrahydrothienopyridine derivatives. This study also put forward the possibility of the existence of an alternate pathway for metabolizing the tetrahydrothienopyridine compounds. The structural data presented in this study is expected to accelerate the research on developing a tetrahydrothienopyridine scaffold as an effective antithrombotic therapeutic modality.
Fabrication and Mechanical Performance of Glass Fiber Reinforced, Three‐phase, Epoxy Syntactic Foam
Authors: Jiang Tao , Wu Xinfeng , Gao Yuan , Wang Ying , Yang Ke , Liu Tengshi , Yu Jinhong , Sun Kai , Zhao Yuantao , Li Wenge 
Published: January 2022

AbstractIn the selection of materials for deep‐sea equipment, light weight and high strength are the most important criteria or requirements. In this paper, hollow glass microspheres (HGMS), expanded polystyrene (EPS), epoxy resin (EP) and curing agent were mixed to prepare hollow glass microspheres reinforced epoxy foam balls (HGMS‐EHS) by the rolling ball method. Glass fiber (GF) reinforced epoxy syntactic foam (GF‐ESF) was prepared by mixing HGMS‐EHS, HGMS, EP, GF, and curing agent using compression moulding method. By analyzing the mechanical properties and microscopic morphology of GF‐ESF, the results show that the addition of GF does enhance the compressive strength of epoxy syntactic foam. GF‐ESF has a density of 496 kg/m3, and its compressive strength is 30.48 MPa. By increasing the number of layers of HGMS‐EHS, the diameter of EPS, the density of HGMS and reducing the stacking volume of HGMS‐EHS, the density of ESF increased significantly thus subsequently increase the compressive strength. Therefore, the compressive strength and density should be considered comprehensively and find the best balance point in the process of preparing ESF. This paper could provide some suggestions for the preparation of deep‐sea epoxy composites.
A Valuable Method for the Synthesis of 2‐Benzylchromones: A Comparative Evaluation of Both Conventional and Microwave‐Assisted Synthesis
Authors: Silva Carlos F. M. , Pacheco João A. , Pinto Diana C. G. A. , Silva Artur M. S. 
Published: January 2022

AbstractChromones (4H‐chromen‐4‐ones) contemplate a naturally occurring class of compounds widely distributed in Nature, particularly in plants. This singular ring system has emerged as a privileged scaffold in medicinal chemistry, mainly due to its unique structural features, diverse biological activities, and pharmacological properties. Throughout the past few years, our efforts have been focused on synthesizing a series of 2‐benzylchromones through a Claisen condensation, using 2’‐hydroxyacetophenones and ethyl 2‐phenylacetates. However, the extended periods of reaction necessary for the synthesis of 2‐benzylchromones led to the search for an alternative. Thus, microwave irradiation emerged as a suitable approach to obtain these chromones in shorter reaction times and with similar or even improved synthetic yields. Our work demonstrates that it is possible to synthesize 2‐benzylchromones through both conventional and microwave‐assisted synthesis, favoring the use of microwave irradiation.
Base‐Catalyzed Intramolecular Self‐Cyclization of o‐Alkenylaryl Isocyanides: Access to 4‐Cyano‐3‐arylquinolines
Authors: Li Chao , Wang He , Liu Lu , Sun Ran , Wang Xin , Zhou Ming‐Dong , Li Lei 
Published: January 2022

AbstractA novel base‐catalyzed intramolecular self‐cyclization reaction of o‐alkenylaryl isocyanides has been successfully developed. This reaction provides a general, efficient and atom‐economic method to access 4‐cyano‐3‐arylquinolines with broad scope of substrates and excellent functional group compatibilities.
Effect of Morphology Control of Hexaniobate Nanotubes on their Acid Characteristics and Ethyl Mercaptan Removal in Light Alkane
Authors: Jiang Zhejian , He Jie , Zhu Jichao , Zhang Xiang , Hu Lifang 
Published: January 2022

AbstractOrganic sulfide usually exists in light alkane such as natural gas, biogas, oilfield gas, etc. Due to its toxicity, flammability, and corrosivity, a series of environmental and safety problems will be caused. Physical adsorption with adsorbent is one of the dry desulfurization methods, which has the characteristics of mild conditions, no by‐products, and simple regeneration. Herein, the adsorbent protonated H4Nb6O17 nanotubes (HNT) were constructed by a new spray method. The morphology, skeleton structure, surface hydroxyl groups, and the Brønsted acid sites properties of the as‐prepared samples were characterized and analyzed in detail. The adsorption, separation, and recycling performance were evaluated by the probe compound ethyl mercaptan (Et‐SH) in CH4. The results show that H4Nb6O17 nanotubes prepared by a spray method with improved morphology have better adsorption properties for ethyl mercaptan in methane than that of the sample prepared by traditional flocculation methods. The results suggest that the spray technology brings about high dispersion of nanotube aggregation, small tube diameter, and the enhancement of Brønsted acid. These characteristics will lead to higher adsorption and removal capacity of ethyl mercaptan. This work is also helpful to explain the relationship between structure and acidity in niobate nanomaterials, and provides new idea for the construction of 1D nanomaterials.
Functionalized Carbon Nanotube based Cyanide Detection and Degradation
Authors: Billing Beant K. , Verma Meenakshi , Chaudhary Monika 
Published: January 2022

AbstractOwing to the extraordinary characteristics Carbon Nanotubes exhibit, these have been employed for wide range of applications. The recognition of chemical contaminants is one such area of research which always involve advancement in concern to the environmental protection and public health. In this regard, Carbon nanotubes decorated with nickel nanoparticles (CNT@Ni) nano‐hybrid has been fabricated and characterized with scanning electron microscopy, Transmission electron microscopy, energy dispersive X‐Ray analysis, X‐Ray Diffraction and Fourier transform infrared spectroscopy. Anion recognition studies were performed for CNT@Ni nano‐hybrid, a significant response was observed for Cyanide ion (CN−) detection and exhibited a detection limit of 7.2 nM. Further, detected CN−was electrochemically reduced to non‐toxic OCN−in order to prevent the environment from its toxic effects while disposing off.
Design, synthesis, and biological evaluation of novel FFA1 partial agonists bearing oxime ether scaffold**
Authors: Wang Bin , Cai Zongyu , Chen Siliang , Chen Ya , Jiao Shixuan , Ren Qiang , Wang Xuekun , Geng Xinqian , Li Zheng , Wang Guangji 
Published: January 2022

AbstractThe free fatty acid receptor 1 (FFA1) is a promising anti‐diabetic target, and many FFA1 agonists including TAK‐875 and AMG‐837 are reached in clinical studies. However, the excessive lipophilicity of AMG‐837 (ClogP=6.81) might be a potential downside attributed to the clinical failure of AMG‐837. In this study, we introduced the oxime ether moiety to replace the middle benzene of AMG‐837 to reduce the lipophilicity. After comprehensive structure‐activity relationship study, the optimal compound 7 was identified as a partial agonist with appropriate lipophilicity (EC50=37.6 nM, Efficacy=71 %, ClogP=4.73). Moreover, compound 7 exhibited significantly glucose‐lowering effects in a dose‐dependent manner, and the glucose‐lowering effect was equivalent to that of TAK‐875 at the dose of 20 mg/kg. In conclusion, this study provided a new series partial agonists bearing oxime ether scaffold, which is worthy for further exploration based on its excellent pharmacological activity and physicochemical property.
In‐Situ Silica Xerogel Assisted Facile Synthesis of Fe‐N‐C Catalysts with Dense Fe‐Nx Active Sites for Efficient Oxygen Reduction
Authors: Liu Maosong , Wang Lijuan , Zhang Long , Zhao Yiran , Chen Kangmin , Li Yanxiao , Yang Xiaohua , Zhao Long , Sun Shuhui , Zhang Jianming 
Published: January 2022

AbstractIn the past decade, atomically dispersed Fe active sites (coordinated with nitrogen) on carbon materials (FeNC) have emerged rapidly as promising single‐atom catalysts (SACs) for the oxygen reduction reaction (ORR) to substitute precious group metal (PGM) catalysts, owing to their earth abundance and low cost. Nonetheless, the production of highly active FeNC SACs is largely restricted by material cost, low product yield and difficulty of microstructure design. Herein, the authors demonstrate a facile in‐situ xerogel (ISG) assisted synthetic strategy, using cheap materials, to construct FeNC SACs (ISG FeNC). The porous silica xerogel, formed in‐situ with the FeNC precursors, encourages the emergence of enormous micropores/mesopores and homogeneous confinement/protection to the precursors during pyrolysis, benefiting to the formation of abundant accessible active sites (27.6 × 1019 sites g–1). Correspondingly, the ISG FeNC exhibits excellent ORR activity with a half‐wave potential (E1/2 = 0.91 V) in alkaline medium. The Zn–air battery assembled using the ISG FeNC SACs as the bifunctional catalyst of air cathode, demonstrates commendable performance with high peak power density of 249.1 mW cm–2 and superior long‐term stability (660 cycles with 220 h). This work offers an economic and efficient way to fabricate PGM‐free SACs for diverse applications.
DS2AN: Deep stacked sparse autoencoder for secure and fast authentication in HetNets
Authors: Hemavathi   , Akhila S. , Zubeda Samreen , Shashidhara R. 
Published: January 2022

AbstractWith the development of wireless communication technologies, providing seamless communication and secured roaming across devices has gained momentum. With 5G building upon and working together with 4G, it promises up to 100 times faster connectivity than 4G, greater bandwidth and extremely low latency. Though this dramatically enhances user experience, it calls for densification of the network by deploying smaller cells. This solution significantly improves network coverage but results in frequent handoffs. With the adoption of newer network technologies, potential new threats are introduced which becomes quite challenging for the industry. For ensuring seamless mobility, an effective handoff mechanism should ensure a secure and fast authentication process. In this article, Deep Sparse Stacked Autoencoder Network (DS2AN), an unsupervised deep learning model has been used to achieve the said objective. In the proposed method, training is done based on number of hidden layers using back propagation algorithm. Once trained, the cost function is minimized in order to achieve fine tuning of DS2AN.Compared with the existing handoff schemes, DS2AN promises a better level of security and a reduction in time required for handoff. Also, DS2AN is used to identify the presence of malicious entities thereby increasing security in the network. The performance of DS2AN algorithm for authentication delay has been evaluated based on communication and computational cost, and the results shows that DS2AN performs better compared to existing techniques.
Talent management, organizational ambidexterity, and firm performance: Evidence from Russian firms
Authors: Latukha Marina , Michailova Snejina , Selivanovskikh Louisa , Kozachuk Tatiana 
Published: January 2022

AbstractThis study investigates how the talent management (TM) practices of talent attraction, development, and retention contribute to organizational ambidexterity (OA) and firm performance in the context of Russia. Based on a cross‐sectional data set of 88 local Russian firms, we investigate the association between the TM practices and OA dimensions and examine the role of exploration and exploitation in the TM–performance relationship. The ordinary least squares regression results show that the effects of talent attraction on exploration, talent development on exploitation, and talent retention on both OA dimensions are significant and positive. Meanwhile, the simple and parallel mediation analyses (using the Hayes' PROCESS program) demonstrate that OA, particularly exploration, mediates the TM–performance relationship. This study contributes to the overall literature on TM and ambidexterity by considering TM practices as crucial antecedents of OA and explaining how and why TM positively affect firm performance.
Endoscopic direct clipping versus indirect clipping for colonic diverticular bleeding: A large multicenter cohort study
Authors: Kishino Takaaki , Nagata Naoyoshi , Kobayashi Katsumasa , Yamauchi Atsushi , Yamada Atsuo , Omori Jun , Ikeya Takashi , Aoyama Taiki , Tominaga Naoyuki , Sato Yoshinori , Ishii Naoki , Sawada Tsunaki , Murata Masaki , Takao Akinari , Mizukami Kazuhiro , Kinjo Ken , Fujimori Shunji , Uotani Takahiro , Fujita Minoru , Sato Hiroki , Suzuki Sho , Narasaka Toshiaki , Hayasaka Junnosuke , Funabiki Tomohiro , Kinjo Yuzuru , Mizuki Akira , Kiyotoki Shu , Mikami Tatsuya , Gushima Ryosuke , Fujii Hiroyuki , Fuyuno Yuta , Gunji Naohiko , Toya Yosuke , Narimatsu Kazuyuki , Manabe Noriaki , Nagaike Koji , Kinjo Tetsu , Sumida Yorinobu , Funakoshi Sadahiro , Kawagishi Kana , Matsuhashi Tamotsu , Komaki Yuga , Miki Kuniko , Watanabe Kazuhiro , Kaise Mitsuru 
Published: January 2022

AbstractBackgroundDirect and indirect clipping treatments are used worldwide to treat colonic diverticular bleeding (CDB), but their effectiveness has not been examined in multicenter studies with more than 100 cases.ObjectiveWe sought to determine the short‐ and long‐term effectiveness of direct versus indirect clipping for CDB in a nationwide cohort.MethodsWe studied 1041 patients with CDB who underwent direct clipping (n = 360) or indirect clipping (n = 681) at 49 hospitals across Japan (CODE BLUE‐J Study).ResultsMultivariate analysis adjusted for age, sex, and important confounding factors revealed that, compared with indirect clipping, direct clipping was independently associated with reduced risk of early rebleeding (<30 days; adjusted odds ratio [AOR] 0.592, p = 0.002), late rebleeding (<1 year; AOR 0.707, p = 0.018), and blood transfusion requirement (AOR 0.741, p = 0.047). No significant difference in initial hemostasis rates was observed between the two groups. Propensity‐score matching to balance baseline characteristics also showed significant reductions in the early and late rebleeding rates with direct clipping. In subgroup analysis, direct clipping was associated with significantly lower rates of early and late rebleeding and blood transfusion need in cases of stigmata of recent hemorrhage with non‐active bleeding on colonoscopy, right‐sided diverticula, and early colonoscopy, but not with active bleeding on colonoscopy, left‐sided diverticula, or elective colonoscopy.ConclusionsOur large nationwide study highlights the use of direct clipping for CDB treatment whenever possible. Differences in bleeding pattern and colonic location can also be considered when deciding which clipping options to use.