bluuebunny/crossref_metadata_2025_split huggingface dataset:
Engineering a Kesterite‐Based Photocathode for Photoelectrochemical Ammonia Synthesis from NOx Reduction
Authors: Zhou Shujie , Sun Kaiwen , Toe Cui Ying , Yin Jun , Huang Jialiang , Zeng Yiyu , Zhang Doudou , Chen Weijian , Mohammed Omar F. , Hao Xiaojing , Amal Rose 
Published: May 2022

AbstractAmmonia is a key chemical feedstock for industry as well as future carbon‐free fuel and transportable vector for renewable energy. Photoelectrochemical (PEC) ammonia synthesis from NOx reduction reaction (NOxRR) provides not only a promising alternative to the energy‐intensive Haber–Bosch process through direct solar‐to‐ammonia conversion, but a sustainable solution for balancing the global nitrogen cycle by restoring ammonia from wastewater. In this work, selective ammonia synthesis from PEC NOxRR by a kesterite (Cu2ZnSnS4 [CZTS]) photocathode through loading defect‐engineered TiOx cocatalyst on a CdS/CZTS photocathode (TiOx/CdS/CZTS) is demonstrated. The uniquely designed photocathode enables selective ammonia production from NOxRR, yielding up to 89.1% Faradaic efficiency (FE) (0.1 V vs reversible hydrogen electrode (RHE)) with a remarkable positive onset potential (0.38 V vs RHE). By tailoring the amount of surface defective Ti3+ species, the adsorption of reactant NO3− and *NO2 intermediate is significantly promoted while the full coverage of TiOx also suppresses NO2− liberation as a by‐product, contributing to high ammonia selectivity. Further attempts on PEC ammonia synthesis from simulated wastewater show good FE of 64.9%, unveiling the potential of using the kesterite‐based photocathode for sustainably restoring ammonia from nitrate‐rich wastewater.
An NIR‐II Photothermally Triggered “Oxygen Bomb” for Hypoxic Tumor Programmed Cascade Therapy
Authors: Zhang Sidi , Li Zhenhua , Wang Qingbing , Liu Qian , Yuan Wei , Feng Wei , Li Fuyou 
Published: May 2022

AbstractHypoxia, as a characteristic feature of solid tumors, has a close relationship with tumor resistance to photodynamic therapy (PDT) and chemotherapy. Perfluorocarbon (PFC) is reported to relieve hypoxic in solid tumors by acting as an oxygen carrier via several nanostructures. However, the oxygen delivery process is mostly driven by a concentration gradient, which is uncontrollable. Herein, a photothermally controlled “oxygen bomb” PSPP‐Au980‐D is designed by encapsulating a PFC core within a functionalized bilayer polymer shell. Near‐infrared second window photothermal agent gold nanorods with excellent photo‐to‐heat energy‐conversion ability are fabricated on the surface of the polymer shell via an innovative modified two‐step seedless ex situ growth process to thermally trigger O2 release. Then, a programmed cascade therapy strategy is customized for hypoxic orthotopic pancreatic cancer. First, PSPP‐Au980‐D is irradiated by a 980 nm laser to photothermally trigger O2 infusing into the hypoxic tumor microenvironment, which is accompanied by local hyperemia and doxorubicin release. Subsequently, a 680 nm laser is used to generate singlet oxygen in the oxygenated tumor microenvironment for PDT. This choreographed programmed cascade therapy strategy will provide a new route for suppressing hypoxic tumor growth under mild conditions based on controllable and effective oxygen release.
Circuit‐Level Memory Technologies and Applications based on 2D Materials
Authors: Ma Jiahui , Liu Hefei , Yang Ning , Zou Jingyi , Lin Sen , Zhang Yuhao , Zhang Xu , Guo Jing , Wang Han 
Published: May 2022

AbstractMemory technologies and applications implemented fully or partially using emerging 2D materials have attracted increasing interest in the research community in recent years. Their unique characteristics provide new possibilities for highly integrated circuits with superior performances and low power consumption, as well as special functionalities. Here, an overview of progress in 2D‐material‐based memory technologies and applications on the circuit level is presented. In the material growth and fabrication aspects, the advantages and disadvantages of various methods for producing large‐scale 2D memory devices are discussed. Reports on 2D‐material‐based integrated memory circuits, from conventional dynamic random‐access memory, static random‐access memory, and flash memory arrays, to emerging memristive crossbar structures, all the way to 3D monolithic stacking architecture, are systematically reviewed. Comparisons between experimental implementations and theoretical estimations for different integration architectures are given in terms of the critical parameters in 2D memory devices. Attempts to use 2D memory arrays for in‐memory computing applications, mostly on logic‐in‐memory and neuromorphic computing, are summarized here. Finally, challenges that impede the large‐scale applications of 2D‐material‐based memory are reviewed, and perspectives on possible approaches toward a more reliable system‐level fabrication are also given, hopefully shedding some light on future research.
Multichannel Superposition of Grafted Perfect Vortex Beams
Authors: Ahmed Hammad , Intaravanne Yuttana , Ming Yang , Ansari Muhammad Afnan , Buller Gerald S. , Zentgraf Thomas , Chen Xianzhong 
Published: May 2022

AbstractInspired by plant grafting, grafted vortex beams can be formed through grafting two or more helical phase profiles of optical vortex beams. Recently, grafted perfect vortex beams (GPVBs) have attracted much attention due to their unique optical properties and potential applications. However, the current method to generate and manipulate GPVBs requires a complex and bulky optical system, hindering further investigation and limiting its practical applications. Here, a compact metasurface approach for generating and manipulating GPVBs in multiple channels is proposed and demonstrated, which eliminates the need for such a complex optical setup. A single metasurface is utilized to realize various superpositions of GPVBs with different combinations of topological charges in four channels, leading to asymmetric singularity distributions. The positions of singularities in the superimposed beam can be further modulated by introducing an initial phase difference in the metasurface design. The work demonstrates a compact metasurface platform that performs a sophisticated optical task that is very challenging with conventional optics, opening opportunities for the investigation and applications of GPVBs in a wide range of emerging application areas, such as singular optics and quantum science.
Ionofibers: Ionically Conductive Textile Fibers for Conformal i‐Textiles
Authors: Huniade Claude , Melling Daniel , Vancaeyzeele Cédric , Nguyen Giao T.‐M. , Vidal Frédéric , Plesse Cédric , Jager Edwin W. H. , Bashir Tariq , Persson Nils‐Krister 
Published: May 2022

AbstractWith the rise of ion‐based devices using soft ionic conductors, ionotronics show the importance of matching electronic and biological interfaces. Since textiles are conformal, an essential property for matching interfaces, light‐weight and comfortable, they present as an ideal candidate for a new generation of ionotronics, i‐textiles. As fibers are the building blocks of textiles, ionically conductive fibers, named ionofibers, are needed. However, ionofibers are not yet demonstrated to fulfill the fabric manufacturing requirements such as mechanical robustness and upscaled production. Considering that ionogels are known to be conformal films with high ionic conductivity, ionofibers are produced from commercial core yarns with specifically designed ionogel precursor solution via a continuous dip‐coating process. These ionofibers are to be regarded as composites, which keep the morphology and improve the mechanical properties from the core yarns while adding the (ionic) conductive function. They keep their conductivity also after their integration into conformal fabrics; thus, an upscaled production is a likely outlook. The findings offer promising perspectives for i‐textiles with enhanced textile properties and in‐air electrochemical applications.
Control of COVID‐19 Outbreaks under Stochastic Community Dynamics, Bimodality, or Limited Vaccination
Authors: Goldenbogen Björn , Adler Stephan O. , Bodeit Oliver , Wodke Judith A. H. , Escalera‐Fanjul Ximena , Korman Aviv , Krantz Maria , Bonn Lasse , Morán‐Torres Rafael , Haffner Johanna E. L. , Karnetzki Maxim , Maintz Ivo , Mallis Lisa , Prawitz Hannah , Segelitz Patrick S. , Seeger Martin , Linding Rune , Klipp Edda 
Published: May 2022

AbstractReaching population immunity against COVID‐19 is proving difficult even in countries with high vaccination levels. Thus, it is critical to identify limits of control and effective measures against future outbreaks. The effects of nonpharmaceutical interventions (NPIs) and vaccination strategies are analyzed with a detailed community‐specific agent‐based model (ABM). The authors demonstrate that the threshold for population immunity is not a unique number, but depends on the vaccination strategy. Prioritizing highly interactive people diminishes the risk for an infection wave, while prioritizing the elderly minimizes fatalities when vaccinations are low. Control over COVID‐19 outbreaks requires adaptive combination of NPIs and targeted vaccination, exemplified for Germany for January–September 2021. Bimodality emerges from the heterogeneity and stochasticity of community‐specific human–human interactions and infection networks, which can render the effects of limited NPIs uncertain. The authors' simulation platform can process and analyze dynamic COVID‐19 epidemiological situations in diverse communities worldwide to predict pathways to population immunity even with limited vaccination.
Optimal control and the Pontryagin's principle in chemical engineering: History, theory, and challenges
Authors: Andrés‐Martínez Oswaldo , Palma‐Flores Oscar , Ricardez‐Sandoval Luis A. 
Published: May 2022

AbstractIn the mid‐1950s, Pontryagin et al. published a principle that became a fundamental concept in optimal control (OC) theory. The principle provides theoretical and practical methods to find the solution of OC problems, in particular, open‐loop control problems. In chemical engineering, the principle has played an important role as a decision making framework for more than 60 years. This study gathers the main contributions on the application of the Pontryagin's principle to the dynamic optimization of chemical processes. A concise overview of the optimality conditions for a wide class of constrained OC problems is provided. Numerical methods to solve the necessary conditions and strategies to address inequality constraints are summarized. The information and illustrative case study presented in this work can be used as a guide to implement the principle in different settings. Opportunities for further application of the principle in relevant chemical engineering problems are also discussed.
Multiplexed shotgun genotyping (MSG) data resolve phylogenetic relationships within and among archipelagos in Macaronesian Tolpis
Authors: Mort Mark E. , Kerbs Benjamin R. , Kelly John K. , Silva Lurdes Borges , Moura Mónica , de Sequeira Miguel Menezes , Santos‐Guerra Arnoldo , Schaefer Hanno , Alfredo Reyes‐Betancort J. , Caujapé‐Castells Juli , Crawford Daniel J. 
Published: May 2022

AbstractPremisePlants endemic to oceanic archipelagos are suitable for studying evolution, being isolated on substrates of different ages. Evolution has been recent, rendering traditionally employed sequences insufficiently variable for resolving relationships. This study includes sampling in the genus Tolpis (Asteraceae) from the Azores, Madeira, and Cape Verde, and expands upon an earlier study demonstrating the efficacy of multiplexed shotgun genotyping (MSG) for resolving relationships in Canarian Tolpis.MethodsGenomic libraries for 90 accessions of Tolpis and two from the outgroup were generated for genotyping individuals using MSG. Loci were de novo assembled with iPyrad, which clusters MSG loci within and between samples. A maximum likelihood phylogeny was generated with RAxML. Ancestral area reconstruction was inferred using R package BioGeoBEARS.ResultsMSG data recovered a highly resolved phylogeny from population to inter‐archipelago levels. Ancestral area reconstruction provided biogeographic hypotheses for the radiation of Macaronesian Tolpis.ConclusionsFour major clades were resolved. The Madeiran endemic T. macrorhiza is sister to other Tolpis. Species from the Canaries, Cape Verdes, and the continent are sister to T. succulenta from Madeira, which has a sister subclade of Azorean populations composed of T. succulenta and T. azorica. Population‐level resolution suggests unrecognized taxa on several archipelagos. Ancestral reconstruction suggests initial dispersal from the continent to Madeira, with dispersal to the Azores, then dispersal from Madeira to the Canary Islands, with both subsequent dispersal to the Cape Verdes and back‐dispersal to the continent. Single‐island radiations and inter‐island dispersal are implicated in divergence in Macaronesian Tolpis.
Bifunctional Rare‐Earth Metal Catalysts for Conversion of CO2 and Epoxides into Cyclic Carbonates
Authors: Yao Quanyou , Shi Yize , Wang Yaorong , Zhu Xuehua , Yuan Dan , Yao Yingming 
Published: May 2022

AbstractA series of bifunctional rare‐earth metal complexes bearing zwitterionic amino‐bis(phenolato) ligands were synthesized and structurally characterized. These complexes were applied as catalysts for the synthesis of cyclic carbonates from epoxides and CO2. Lanthanum complex 1La was most active, converting terminal epoxides into the cyclic carbonates in moderate to excellent yields at 40 °C in the presence of 1 bar CO2. The catalyst was also recycled five runs without loss of catalytic activity. The kinetics of the cycloaddition of CO2 and epichlorohydrin (ECH) catalyzed by complex 1La were investigated. According to the Arrhenius equation, the activation barrier for cyclic carbonate formation is determined to be 8.29±0.68 kcal/mol.
Co(II)‐Catalysed C−H/N−H Annulation of Cyclic Alkenes with Benzamides at Room Temperature: An Easy Access to the Core Skeleton of Hexahydrobenzo[c]phenanthridine‐type Alkaloids
Authors: Adhikari Gopal Krushna Das , Pati Bedadyuti Vedvyas , Mohanty Smruti Ranjan , Prusty Namrata , Ravikumar Ponneri C. 
Published: May 2022

AbstractWe report a highly regio‐ and stereoselective synthesis of the core skeleton of hexahydrobenzo[c]phenanthridine‐type alkaloids at room temperature using Co(acac)2. The reaction is compatible for a wide range of substrates and also provides good to excellent yield of products.
Hyaluronic acid targeted metal organic framework based on iron (III) for delivery of platinum curcumin cytotoxic agent to triple negative breast cancer cell line
Authors: Moradi Mohammadmahdi , Aliomrani Mehdi , Tangestaninejad Shahram , Varshosaz Jaleh , Kazemian Hossein , Emami Fatemeh‐Sadat , Rostami Mahboubeh 
Published: May 2022

Platinum‐based drugs are an essential class of chemotherapy drugs in breast cancer. However, suffer from side effects and drug resistance; structural changes and applying drug carriers can lead to new drug candidates in this class. The metal‐organic frameworks (MOFs) as porous carriers have recently attracted much attention in drug delivery. In this study, for the first time, hyaluronic acid (HA)‐targeted MOF (NH2‐MIL‐101 (Fe)) nanoparticles (Pt‐CUR@MIL@HA NPs) were evaluated in delivery of platinum‐curcumin (Pt‐CUR) prodrug to the MDA‐MB‐231 triple‐negative breast cancer cell line; in this regard, the cytotoxicity, ROS production, and cellular uptake of designed NPs have been studied. Different analysis methods confirmed chemical structures, the prepared NPs had a uniform morphology, and the hydrodynamic size of the optimized non‐targeted loaded particles increased to about 252 nm with a zeta potential of +26.9 mV, after targeting with HA, the size increased to 310 nm, and the zeta potential changed to −28 mV. Based on TGA and atomic absorption (ICP‐MS) results, the drug loading percent was determined to be about 30%–35%. Drug release from the HA targeted Pt‐CUR@MIL@HA system in the neutral condition was slow and sustained, and after 36 h, a maximum of 60% of the drug was released, but in acidic conditions, the release was increased, and by 18 h, the release was about 80%. The cytotoxicity of MOF NPs containing Pt‐CUR was more significant than that of the free drug, and HA targeted has resulted in more cellular uptake than the non‐targeted NPs. In conclusion, these new MOF‐ based HA‐coated NPs of PT‐CUR can be introduced to pre‐clinical researches after completing in vitro and in vivo studies.
Phenol—Benzoxazolone bioisosteres: Synthesis and biological evaluation of tricyclic GluN2B‐selective N‐methyl‐d‐aspartate receptor antagonists
Authors: Markus Alexander , Schreiber Julian A. , Goerges Gunnar , Frehland Bastian , Seebohm Guiscard , Schepmann Dirk , Wünsch Bernhard 
Published: May 2022

AbstractTricyclic tetrahydrooxazolo[4,5‐h]‐[3]benzazepin‐9‐ols 22 were designed as phenol bioisosteres of tetrahydro‐3‐benzazepine‐1,7‐diols. Key features of the synthesis are the introduction of the trifluoromethylsulfonyl and allyl protective groups at the heterocyclic N‐atoms. Two methods were developed to convert the triflyl‐protected ketone 16 into tricyclic alcohols 21 bearing various N‐substituents. According to the first method, trifluoromethanesulfinate was removed by K2CO3. Following the selective reduction of the imino moiety of 17 with NaBH(OAc)3 afforded the aminoketone 18, which was reductively alkylated and reduced. According to the second method, both the imine and the ketone of the iminoketone 17 were reduced with NaBH4 to yield the aminoalcohol 20, which was alkylated or reductively alkylated to form tertiary amines 21f–21r. In the last step, the allyl protective group of 21 was removed with RhCl3 and HCl to obtain oxazolones 22. In receptor binding studies using [3H]ifenprodil as radioligand ketone, 22m showed the highest GluN2B affinity (Ki = 88 nM). However, a reduced affinity toward GluN2B subunit‐containing N‐methyl‐
d‐aspartate (NMDA) receptors was observed for oxazolones 22 compared to bioisosteric 3‐benzazepine‐1,7‐diols. High selectivity of 22m for the ifenprodil binding site of GluN2B‐NMDA receptors over the 1‐(1‐phenylcyclohexyl)piperidine binding site and σ2 receptors was observed, but only negligible selectivity over σ1 receptors. In two‐electrode voltage clamp experiments, the 4‐phenylbutyl derivative 22d (Ki = 422 nM) demonstrated 80% inhibition of ion flux at a concentration of 1 µM. The differences in GluN2B affinity and inhibitory activity are explained by docking studies. In conclusion, 22d is regarded as a novel scaffold of highly potent GluN1/GluN2B antagonists.
Synthesis of environment‐friendly, sustainable, and nontoxic bio‐lubricants: A critical review of advances and a path forward
Authors: Sancheti Sonam V. , Yadav Ganapati D. 
Published: May 2022

AbstractCarbon neutral biosources are sought for the protection of the environment and to meet the energy needs of the growing population. For instance, lubricants are required in huge quantities. Synthesis of environment‐friendly, sustainable and non‐toxic bio‐lubricants from renewable and bio‐degradable feedstocks such as vegetable oils and animal fats will be most desirable. The thermal stability and lower volatility of these triglycerides make them suitable as precursors for lubricants. This review briefly covers the chemical modifications required to transform plant‐ and animal‐based triglycerides into efficient bio‐lubricants. Chemical modifications are required to improve one or more physicochemical or tribological properties of bio‐lubricants such as low‐temperature flow properties or the oxidation stability of fatty acids/oils for different applications. The use of heterogeneous catalysts makes the processes clean. The relationship between their molecular structures, physicochemical properties and lubrication performance is reviewed. Additives such as antioxidants, sulfides, phosphates, metal and metal oxide nanoparticles, and ionic liquids are used to enhance the lubricant properties. With proper modifications in a base oil, support and additives, bio‐lubricants can perform similar to or even better than conventional lubricants. A further advantage is that they can be easily adapted using existing infrastructure and lubricant formulations. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd.
Impact of concomitant fibrates on immunotherapy outcomes for advanced non‐small cell lung cancer
Authors: Stokes William A. , Behera Madhusmita , Jiang Renjian , Gutman David A. , Huang Zhonglu , Burns Abigail , Sebastian Nikhil T. , Sukhatme Vidula , Lowe Michael C. , Ramalingam Suresh S. , Sukhatme Vikas P. , Moghanaki Drew 
Published: May 2022

AbstractBackgroundPeroxisome proliferator‐activated receptor agonists such as fibrates restore oxidative metabolism in cytotoxic T‐lymphocytes, thereby enhancing response to immune checkpoint inhibitors (ICI) in preclinical models. However, there is no evidence in humans on the clinical impact of fibrates as an adjunct to ICI.MethodsIn this cohort study of Veterans with non‐small cell lung cancer (NSCLC) receiving ICI, fibrate exposure was defined as a prescription filled within 90 days of an ICI infusion. Overall survival (OS), measured from the start of ICI, was compared between exposed and unexposed Veterans. Cox multivariable analysis (MVA) was used to identify factors associated with OS. A sensitivity analysis of Veterans with stage IV NSCLC who received docetaxel without ICI was similarly performed.ResultsThe ICI cohort included 3593 Veterans, of whom 301 (8.5%) coincidentally received a fibrate. Veterans receiving fibrates were more likely to be older, white, male, and married, and to have greater comorbidity burden, but less likely to receive chemotherapy. Coincidental fibrates were associated with improved OS both on MVA (HR 0.86, 95%CI 0.75–0.99) and in a matched subset (HR 0.75, 95%CI 0.63–0.90). In contrast, among the cohort of 968 Veterans treated with chemotherapy, fibrates did not have a significant impact on OS by MVA (HR 0.99, 95%CI 0.79–1.25) or in a matched subset (HR 1.02, 95%CI CI 0.75–1.39).ConclusionsConcomitant fibrates are associated with improved OS among NSCLC patients receiving ICI but not among those receiving chemotherapy. This hypothesis‐generating observation supports a potential role for fibrates as an adjunct to immunotherapy.
Carpelipines C and D, Two Anti‐Inflammatory Germacranolides from the Flowers of Carpesium lipskyi Winkl. (Asteraceae)
Authors: Zhong Weihong , Li Min , Han Shan , Sun Jie , Cao Lan , Mu Zejing , Du Xiaolang , Cui Yushun , Feng Yulin , Zhong Guoyue 
Published: May 2022

AbstractTwo new germacranolides, carpelipine C (1) and carpelipine D (2), together with four known ones (3–6), were isolated from Carpesium lipskyi Winkl. flowers, a folk Tibetan herbal medicine with antipyretic‐analgesic and anti‐inflammatory effects. The chemical structures of new structure were illuminated by diversified spectroscopic and X‐ray crystallographic analyses. Compounds 1 and 3 dramatically suppressed the synthesis of NO and decreased pre‐inflammatory protein expression of iNOS and COX‐2 in LPS‐induced RAW264.7 cells. Furthermore, it was revealed that NF‐κB/MAPK signaling pathway were involved in the anti‐inflammatory process of 1 and 3, and their effects on reducing oxidative stress by activating Nrf2/HO‐1 pathway were also measured. This article indicated that the traditional use of C. lipskyi to treat inflammatory diseases has a certain rationality.