bluuebunny/crossref_metadata_2025_split huggingface dataset:
Red to Near‐Infrared Mechanochromism from Metal‐free Polycrystals: Noncovalent Conformational Locks Facilitating Wide‐Range Redshift
Authors: Zhu Chenfei , Luo Qing , Shen Yunxia , Lv Chunyan , Zhao Sanhu , Lv Xiaojing , Cao Feng , Wang Kunyan , Song Qingbao , Zhang Cheng , Zhang Yujian 
Published: January 2021

AbstractPiezochromic organic materials that present a large difference in fluorescence wavelength in the near‐infrared region have important potential applications; however, few such metal‐free luminophores have been reported. In this study, we design and prepare π‐conjugated electron acceptors whose planar conformation can be locked by the noncovalent interactions. The planar fused‐ring geometry can narrow the optical band gap, enhance the molecular stability and rigidity, as well as increase the radiative rate. As expected, the polymorphs Re‐phase and Ni‐phase emit the high‐brightness fluorescence with wavelength maxima (λem,max) at 615 and 727 nm, respectively. Upon full grinding, the λem,max of Re‐phase is bathochromically shifted to 775 nm. The ground powder of Re‐phase becomes metastable as a consequence of noncovalent conformational locking and that the red to near‐infrared (large colour difference) mechanochromism arises from the high degree of conformational coplanarity. This strategy is both conceptually and synthetically simple and offers a promising approach to the development of organic piezochromic materials with wide‐range redshift and excellent penetrability.
Accessing the Next Generation of Synthetic Mussel‐Glue Polymers via Mussel‐Inspired Polymerization
Authors: Krüger Jana M. , Börner Hans G. 
Published: January 2021

AbstractThe formation of cysteinyldopa as biogenic connectivity in proteins is used to inspire a chemical pathway toward mussel‐adhesive mimics. The mussel‐inspired polymerization (MIPoly) exploits the chemically diverse family of bisphenol monomers that is oxidizable with 2‐iodoxybenzoic acid to give bisquinones. Those react at room temperature with dithiols in Michael‐type polyadditions, which leads to polymers with thiol–catechol connectivities (TCC). A set of TCC polymers proved adhesive behavior even on challenging poly(propylene) substrates, where they compete with commercial epoxy resins in dry adhesive strength. MIPoly promises facile scale up and exhibits high modularity to tailor adhesives, as proven on a small library where one candidate showed wet adhesion on aluminum substrates in both water and sea water models.
Estimation and visualization of process states using latent variable models based on Gaussian process
Authors: Kaneko Hiromasa 
Published: January 2021

AbstractThe estimation and visualization of process states are important for process control in chemical and industrial plants. Since industrial processes are related to Gaussian distributions theoretically, this study focused on Gaussian process latent variable models. Process state estimation and visualization methods are proposed using two latent variables based on the Bayesian Gaussian process latent variable model (BGPLVM), infinite warped mixture model (iWMM), and Gaussian process dynamical models (GPDM). The Tennessee Eastman process dataset was analyzed and it was confirmed that the performance of estimating the process states was highest in the order of GPDM, iWMM, and BGPLVM. Moreover, time‐delayed process variables were added to the process variables to consider the process dynamics, which further improved the performance of estimating the process states. Particularly in the case of GPDM, only two latent variables could estimate the process states, with approximately 100% accuracy for four process states. Additionally, even 10 process states could be estimated with approximately 90% accuracy, and it was confirmed that the process state estimation and process state visualization could be achieved simultaneously.
Understanding the impact of climate change on the oceanic circulation in the Chilean island ecoregions
Authors: Dewitte Boris , Conejero Carlos , Ramos Marcel , Bravo Luis , Garçon Véronique , Parada Carolina , Sellanes Javier , Mecho Ariadna , Muñoz Praxedes , Gaymer Carlos F. 
Published: January 2021

Abstract

The largest changes in the circulation of the South‐eastern Pacific resulting from global warming are associated with the southward shift and intensification of the anticyclone and with coastal surface warming. Coastal upwelling is projected to be increase off central Chile, due to an increase in equatorward winds, although increased oceanic stratification and associated enhanced nearshore turbulence will yield an onshore deepening/flattening of the thermocline.
The overall increase in south‐easterly trade winds of the South‐eastern Pacific in a warmer climate are likely to increase the connectivity pattern between Juan Fernandez and Desventuradas islands, and along the Sala y Gomez ridge, through increasing wind‐driven mean ocean currents.
Deoxygenation associated with the warmer temperatures and changes in ventilation are likely to modify marine habitat and the respiratory barriers of species in the seamounts located in the vicinity of the limits of the minimum oxygen zone.
In the South‐eastern Pacific, the prevailing 2D understanding of the responses of marine life to climate change needs to be expanded to 3D approaches, integrating the vertical habitat compression of marine organisms as a result of ocean warming and deoxygenation, as climate velocities for temperature and oxygen have contrasting vertical and horizontal patterns.
There is a need for regional biogeochemical‐coupled modelling studies dedicated to the Chilean islands in order to provide an integrated view of the impact of anthropogenic stressors (e.g. deoxygenation, increased stratification, and climate shift) at the scale required for addressing socio‐ecological interactions.
A refined understanding of the large‐scale biogeography and spatial dynamics of marine populations through experimentation with high‐resolution regional ocean models is a prerequisite for scaling‐up regional management planning and optimizing the conservation of interconnected marine ecosystems across large scales.
The Yığma Tepe of Pergamon: Internal construction of a monumental burial mound from shear wave reflection sounding and wavefield modelling
Authors: Mecking Rebekka , Meinecke Matthias , Erkul Ercan , Pirson Felix , Rabbel Wolfgang 
Published: January 2021

AbstractThe Yığma Tepe of Pergamon is one of the largest known burial mounds in the Eastern Mediterranean. Its internal structure, especially the existence and location of burials, remains unknown so far because its height of 32 m and the diameter of 158 m have restricted extensive excavations. To explore the interior of the Yığma Tepe, we applied shear wave reflection profiling and traveltime tomography, locally complemented by electrical resistivity tomography. Shear wave reflection imaging enabled us to identify the layering and localize structures down to the basal surface of the mound with a metre‐scale resolution. A grid of crossing SH‐wave profiles with 4‐m line spacing covered the central mound area. The Yığma Tepe can be subdivided into three stratigraphic layers representing different construction phases, each about 10 m thick. The deepest is a consolidated layer with a locally compacted surface. SH‐wave reflection imaging verified the collapsed remains of a tunnel system and a shaft at about 30‐m depth that had been dug into the mound at the level of the basal surface at the beginning of the 20th century. The tunnel collapse created a damage zone of decreased S‐wave velocity reaching up to the overlying middle layer, in which four seismic objects of interest (SOIs) were detected. The largest of these SOIs is a north–south‐oriented structure, about 15 m long and 4 m wide. SH‐viscoelastic forward modelling showed that it likely consists of a collapsed walled cavity with a zone of loosened soil above. The third layer covers the underlying two and is enriched with large stone packages as verified by local excavations. We show the capabilities of shear‐wave reflection seismic to image small‐scale structures under complicated topographic conditions and how characteristics of cavities and volumes of decompacted soil can be evaluated by wavefield modelling.
Hepatic transporter‐mediated pharmacokinetic drug–drug interactions: Recent studies and regulatory recommendations
Authors: Izat Nihan , Sahin Selma 
Published: January 2021

AbstractTransporter‐mediated drug–drug interactions are one of the major mechanisms in pharmacokinetic‐based drug interactions and correspondingly affecting drugs' safety and efficacy. Regulatory bodies underlined the importance of the evaluation of transporter‐mediated interactions as a part of the drug development process. The liver is responsible for the elimination of a wide range of endogenous and exogenous compounds via metabolism and biliary excretion. Therefore, hepatic uptake transporters, expressed on the sinusoidal membranes of hepatocytes, and efflux transporters mediating the transport from hepatocytes to the bile are determinant factors for pharmacokinetics of drugs, and hence, drug–drug interactions. In parallel with the growing research interest in this area, regulatory guidances have been updated with detailed assay models and criteria. According to well‐established preclinical results, observed or expected hepatic transporter‐mediated drug–drug interactions can be taken into account for clinical studies. In this paper, various methods including in vitro, in situ, in vivo, in silico approaches, and combinational concepts and several clinical studies on the assessment of transporter‐mediated drug–drug interactions were reviewed. Informative and effective evaluation by preclinical tools together with the integration of pharmacokinetic modeling and simulation can reduce unexpected clinical outcomes and enhance the success rate in drug development.
Anticipated effort and morality of segregated versus aggregated volunteering
Authors: Henderson Marlone D. , Jung Haesung , M. Baker Erin , Wakslak Cheryl J. 
Published: January 2021

AbstractDoes the way individuals think about the burdens and benefits of giving time to charity depend on how that time is distributed? Prior work shows that the assessment of a whole is different than the assessment of the sum of its parts. Drawing on this work, we demonstrate that when a volunteer experience is segregated into multiple parts (vs. aggregated into a whole)—for example, volunteering 4 h a day for 2 days versus 8 h in a single day—individuals expect the process to feel less effortful but also the outcome to feel less morally right. In addition, we find that contribution size has a moderating effect on anticipated effort (but not on anticipated morality). Lastly, we find that individuals who focus on minimizing the effort involved in volunteering (vs. maximizing the impact of volunteering) show a greater likelihood of volunteering in a segregated (vs. aggregated) manner. We discuss theoretical and practical implications of these findings.
Sustainable entrepreneurship and the Sustainable Development Goals: Community‐led initiatives, the social solidarity economy and commons ecologies
Authors: Esteves Ana Margarida , Genus Audley , Henfrey Thomas , Penha‐Lopes Gil , East May 
Published: January 2021

AbstractThe social solidarity economy is an approach to the production and consumption of goods, services and knowledge that promises to address contemporary economic, social and environmental crises more effectively than business as usual. The paper employs the concept of commons ecologies to examine the practices, relationships and interactions among actors and organisations in the social solidarity economy, as well as between them and the mainstream economy, which shape the field and its degree of autonomy in relation to capitalism, through a process defined as boundary commoning. Such process shapes both local and regional commons ecologies, as well as the participation of local and regional actors in wider networks at national, international and global levels. The paper takes a case study‐based approach to identify practices, relationships and interactions of commons ecologies in relation to selected community‐led initiatives in the UK, Portugal, Brazil and Senegal. Each case study illuminates different qualities of local/regional commons ecologies and their forms of engagement with wider networks. Further, the paper shows that these cases demonstrate how the social solidarity economy may facilitate delivery of the Sustainable Development Goals in a distinctive way. In each case, SSE acts as a vehicle for expressing participants' values and principles consistent with those underlying the SDGs. Local implementation of SDGs is thus an in‐built feature of these commons ecologies. The participation of community‐led initiatives in international and global networks offers opportunities to learn from local level experiences and successes, potentially strengthening SDG implementation more generally.
The role of norms and collective efficacy for the importance of techno‐economic vehicle attributes in Germany
Authors: Berneiser Jessica , Senkpiel Charlotte , Steingrube Annette , Gölz Sebastian 
Published: January 2021

AbstractThe shift to electric mobility lags pursued goals. In this article we analyze the consumer's perspective and examine, which technology attributes and person‐related factors influence electric vehicle (EV) adoption, and whether differences in person‐related factors affect vehicle attribute importance. A total of 1922 participants took part in a Germany‐wide, representative study comprising a questionnaire measuring person‐related factors and a discrete choice experiment determining the importance of technology‐specific attributes. Results from the choice experiment for all vehicles classes reveal that purchase price was the most important vehicle attribute. Less important for the choice of a small‐sized vehicle were in descending order: range, fuel costs, fuel type, refueling infrastructure, CO2‐emissions and CO2‐tax. Regression analyses further indicate that subjective norms, collective efficacy, technological risk attitude and perceived information were the strongest predictors for purchase intention in the questionnaire. Participants showing high values on these factors also weighted attribute importance in the choice experiment differently, but throughout favoring EVs, than participants with low values on these factors. Factors that are disadvantageous for EV, such as range and price, were de‐emphasized by these respondents. In addition, preference shares for battery electric vehicles were more than twice as high as for conventional vehicles in three out of four groups with high values. Socio‐psychological factors, therefore, seem to relativize the impact of mere techno‐economic factors on electric vehicle adoption. Hence, we recommend that these factors receive greater attention in the discourse on policy measures.
Late‐Stage Hydrocarbon Conjugation and Cyclisation in Synthetic Peptides and Proteins
Authors: de Araujo Aline D. , Nguyen Huy T. , Fairlie David P. 
Published: January 2021

AbstractThe conventional S‐alkylation of cysteine relies upon using activated electrophiles. Here we demonstrate high‐yielding and selective S‐alkylation and S‐lipidation of cysteines in unprotected synthetic peptides and proteins by using weak electrophiles and a Zn2+ promoter. Linear or branched iodoalkanes can S‐alkylate cysteine in an unprotected 38‐residue Myc peptide fragment and in a 91‐residue miniprotein Omomyc, thus highlighting selective late‐stage synthetic modifications. Metal‐assisted cysteine alkylation is also effective for incorporating dehydroalanine into unprotected peptides and for peptide cyclisation via aliphatic thioether crosslinks, including customising macrocycles to stabilise helical peptides for enhanced uptake and delivery to proteins inside cells. Chemoselective and efficient late‐stage Zn2+‐promoted cysteine alkylation in unprotected peptides and proteins promises many useful applications.
Recent Advances of DNA Tetrahedra for Therapeutic Delivery and Biosensing
Authors: Copp William , Pontarelli Alexander , Wilds Christopher J. 
Published: January 2021

AbstractThe chemical and self‐assembly properties of nucleic acids make them ideal for the construction of discrete structures and stimuli‐responsive devices for a diverse array of applications. Amongst the various three‐dimensional assemblies, DNA tetrahedra are of particular interest, as these structures have been shown to be readily taken up by the cell, by the process of caveolin‐mediated endocytosis, without the need for transfection agents. Moreover, these structures can be readily modified with a diverse range of pendant groups to confer greater functionality. This minireview highlights recent advances related to applications of this interesting DNA structure including the delivery of therapeutic agents ranging from small molecules to oligonucleotides in addition to its use for sensing and imaging various species within the cell.
Synchronous presentation of COVID‐19 pneumonia and pulmonary embolism
Authors: Poursadegh Farid , Davoudian Najmeh , Mozdourian Mahnaz , Abdollahi Fahimeh 
Published: January 2021

AbstractThe patients with COVID‐19 pneumonia who suffer from worsening of the clinical respiratory symptoms, after the beginning of the treatment, should be evaluated for pulmonary embolism using CT angiography if there are no contraindications.
Unveiling the Uncommon Fluorescent Recognition Mechanism towards Pertechnetate Using a Cationic Metal–Organic Framework Bearing N‐Heterocyclic AIE Molecules
Authors: Kang Kang , Dai Xing , Shen Nannan , Xie Rongzhen , Zhang Xingwang , Lei Lecheng , Wang Shuao , Xiao Chengliang 
Published: January 2021

AbstractAs one of most problematic radionuclides, technetium‐99, mainly in the form of anionic pertechnetate (TcO4−), exhibits high environmental mobility, long half‐life, and radioactive hazard. Due to low charge density and high hydrophobicity for this tetrahedral anion, it is extremely difficult to recognize it in water. Seeking efficient and selective recognition method for TcO4− is still a big challenge. Herein, a new water‐stable cationic metal‐organic framework (ZJU‐X8) was reported, bearing tetraphenylethylene pyrimidine‐based aggregation‐induced emission (AIE) ligands and attainable silver sites for TcO4− detection. ZJU‐X8 underwent an obvious spectroscopic change from brilliant blue to flavovirens and exhibited splendid selectivity towards TcO4−. This uncommon fluorescent recognition mechanism was well elucidated by batch sorption experiments and DFT calculations. It was found that only TcO4− could enter into the body of ZJU‐X8 through anion exchange whereas other competing anions were excluded outside. Subsequently, after interaction between TcO4− and silver ions, the electron polarizations from pyrimidine rings to Ag+ cations significantly lowered the energy level of the π* orbital and thus reduced the π–π* energy gap, resulting in a red‐shift in the fluorescent spectra.
Diastereoselective Access to Tetracyclic Eight‐Membered Lactams through a Dearomative Heck Reaction and an Alkylative Ring‐Opening Driven by Photoexcited Spiroindolines
Authors: Qiao Jianhui , Zhao Wenxuan , Liang Yong , Yao Zhu‐Jun , Wang Shaozhong 
Published: January 2021

AbstractAn external‐photocatalyst‐free, light‐driven alkylative ring‐opening of stable spiroindolines was developed to construct indolo‐ and benzoannulated eight‐membered lactams. The spiroindolines were prepared from tetrahydro‐β‐carbolines by a dearomative Heck reaction. Mechanistic experimental studies on the alkylative ring opening suggested that a photoredox pathway was involved, in which the spiroindoline performed as both reagent and photosensitizer. DFT calculations showed that the radical addition toward a cyclic alkene was the key to the diastereoselective formation of tetracyclic medium‐sized lactams.
Arificial Leaves for Solar Fuels
Authors: Zhang Gong , Liu Bin , Wang Tuo , Gong Jinlong 
Published: January 2021

AbstractLarge amounts of anthropogenic CO2 emissions associated with increased fossil fuel consumption have led to global warming. Upgrading CO2 and water into solar fuels such as hydrogen, methanol, ethanol, etc., is believed to be one of the best methods to address this serious problem. Herein, we focus on introducing our endeavor of developing the photoelectrochemical water splitting reaction system, constructing the (photo)electrochemical CO2 reduction reaction system, and realizing the artificial leaves. This paper consists of a brief introduction, representative applications, and related mechanisms. These research results would be helpful to achieve sustainable development in our society based on the use of solar energy.
What is the most important personality for scientific research?Courage and perseverance to overcome difficulties in new research fields.Who influences you mostly in your life?George M. Whitesides.What is the most favorite and original chemistry developed in your research group?Regulating electronic structure and defects of catalysts for artificialphotosynthesis.How do you supervise your students?Share the latest research results with students and discuss with them frequently to help them develop their scientific skills.How do you keep balance between research and family?Organize and plan ahead of time. Make flexible schedules.What are your hobbies?Hiking and swimming.
Carbon Dots Promote the Performance of Anodized Nickel Passivation Film on Ethanol Oxidation by Enhancing Oxidation of the Intermediate†
Authors: Shi Yandi , Liao Fan , Zhu Wenxiang , Shi Huixian , Yin Kui , Shao Mingwang 
Published: January 2021

Main observation and conclusionEthanol is considered a better fuel than methanol in direct alcohol fuel cells because of the high energy density and low toxicity. Compared with noble metal catalysts, nickel‐based catalysts are much cheaper in price. However, present nickel‐based catalysts still surfer from some disadvantages such as low activity and high overpotential. In this paper, we show a new and high efficient nickel‐ based catalyst for ethanol oxidation. A layer of anodized nickel passivation film (Ni‐APF) was formed on the surface of nickel sheet by anodic oxidation method with carbon dots (CDs) as co‐catalyst. At the current density of 110 mA·cm−2, the potential for Ni‐APF/CDs was only 0.541 V (vs. Ag/AgCl), which was 18.8% lower than that of Ni‐APF. Low overpotential could reduce electrode thermal loss and increase output energy. Ni‐APF/CDs showed 144.4 mA∙cm−2 peak current density at peak potential 0.662 V (vs. Ag/AgCl), which was 31% higher than that of Ni‐APF (110.3 mA∙cm−2). In this system, CDs mainly function in the increase of charge‐transfer capacity and the promotion oxidation of carbonaceous intermediates.