bluuebunny/crossref_metadata_2025 huggingface dataset:
Association of GCK Gene Promoter Polymorphism and their Role in its mRNA Expression among Type 2 Diabetes Mellitus Patients
Authors: Fatima Waseem , Khan Farah , Ali Ashraf , Verma Amit Kumar
Published: January 2021

Introduction: Glucokinase (GCK) gene alteration or inactivation leads to Maturity-Onset Diabetes of the Young (MODY) and Neonatal Diabetes. Alterations in GCK gene has been shown to be associated with increased risk of type 2 diabetes, hyperglycaemia and impaired beta cell function. Aim: To evaluate the GCK (-30G/A, rs1799884) alterations in Type 2 Diabetes Mellitus (T2DM) patients. Materials and Methods: After patients’ selection, blood samples were taken and all biochemical parameters were analysed by auto-analyser using serum. Whole blood samples were used to extract DNA and RNA for genotyping of -30G/A polymorphism using Polymerase Chain Reaction-Restriction Fragment Length Polymorphism (PCR-RFLP) as well as GCKmRNA expression using quantitative real time PCR. Results: Several parameters such as fasting sugar, serum uric acid, Low Density Lipoprotein (LDL), High Density Lipoprotein (HDL), Triglyceride (TG), Cholesterol, high-sensitivity C-Reactive Protein (hs-CRP) were analysed among T2DM cases and healthy controls and differences among them were found to be significantly associated (p<0.0001). It was observed that patients who were smoking among T2DM cases, were found to be associated with increased fasting sugar (p=0.001), postprandial sugar (p<0.0001), HbA1c (p=0.003), blood urea (p=0.01), cholesterol (p=0.02) compared to those who were not smokers. T2DM patients who were alcoholic, showed increased LDL (p=0.006) and cholesterol (p=0.01) compared to non-alcoholic T2DM patients. T2DM cases which were reported hypertensive, showed increased hs-CRP (p=0.02) and cholesterol (p=0.02), compared to non-hypertensive T2DM cases and differences among them were found to be significantly associated. Significant differences were observed in distribution of GCK -30G/A genotypes among T2DM cases and healthy controls (p<0.0001). Odds ratio was calculated and it was observed that the heterozygous GA genotype had 4.66 odds ratio while odds ratio for mutant AA genotype was 35.98 in reference to wild type. Patients with homozygous GG showed 0.25 mean fold decreased GCK mRNA expression while heterozygous GA and mutant AA genotype showed more than 0.17 and 0.16 fold decreased. GCK mRNA was observed and differences among them was found to be significant (p<0.0001). Conclusion: Study revealed that GCK heterozygous GA and mutant AA genotypes were associated with T2DM risk and decreased expression may be responsible for disease progression and worsening of the disease.
The Effect of Residual Stresses on Stress–Strain Curves Obtained via Profilometry‐Based Inverse Finite Element Method Indentation Plastometry
Authors: Burley Max , Campbell Jimmy E , Reiff-Musgrove Rebecca , Dean James , Clyne Trevor William
Published: January 2021

This paper concerns, the effect of (unknown) residual stresses in the near‐surface region of a sample on outcomes of an indentation plastometry technique for obtaining stress–strain relationships, using relatively large spherical indenters. The technique is based on the iterative finite element method (FEM) simulation of indentation, so as to infer the true stress–strain curve of the material (with the target outcome being the profile of the residual indent). It is expected that residual stress levels (if significant compared with the yield stress) are likely to influence the outcome, and indeed this forms the basis of many attempts to measure residual stresses in this way (using a known stress–strain curve). However, there are important issues of sensitivity here, which affect the reliability of such procedures and are also relevant to the accuracy of stress–strain curves inferred from measurements made on samples containing unknown levels of residual stress. Herein, both experimental work on samples with (equal‐biaxial) residual stresses created by the application of external loads and extensive FEM modeling to explore various scenarios are covered. The main conclusion is that the sensitivities involved are in general very low, particularly with relatively deep indentation. Inferred stress–strain curves are thus likely to be quite accurate, even in the presence of relatively high levels of residual stress. Conversely, the measurement of residual stress levels via this procedure is likely to be rather inaccurate, although the reliability is improved using shallow penetration (low ratio of depth‐to‐indenter radius). It is also noted that tensile residual stresses tend to influence outcomes more strongly than compressive ones.
Alternative‐Ultrathin Assembling of Exfoliated Manganese Dioxide and Nitrogen‐Doped Carbon Layers for High‐Mass‐Loading Supercapacitors with Outstanding Capacitance and Impressive Rate Capability
Authors: Jeong Jae‐Min , Park Seung Hwa , Park Hong Jun , Jin Se Bin , Son Seon Gyu , Moon Jong‐Min , Suh Hoyoung , Choi Bong Gill
Published: January 2021

Manganese dioxide (MnO2) materials have received much attention as promising pseudocapacitive materials owing to their high theoretical capacitance and natural abundance. Unfortunately, the charge storage performance of MnO2 is usually limited to commercially available mass loading electrodes because of the significantly lower electron and ion migration kinetics in thick electrodes. Here, an alternatively assembled 2D layered material consisting of exfoliated MnO2 nanosheets and nitrogen‐doped carbon layers for ultrahigh‐mass‐loading supercapacitors without sacrificing energy storage performance is reported. Layered birnessite‐type MnO2 is efficiently exfoliated and intercalated by a carbon precursor of dopamine using a fluid dynamic‐induced process, resulting in MnO2/nitrogen‐doped carbon (MnO2/C) materials after self‐polymerization and carbonization. The alternatively stacked and interlayer‐expanded structure of MnO2/C enables fast and efficient electron and ion transfer in a thick electrode. The resulting MnO2/C electrode shows outstanding electrochemical performance at an ultrahigh mass loading of 19.7 mg cm−2, high gravimetric and areal capacitances of 480.3 F g−1 and 9.4 F cm−2 at 0.5 mA cm−2, and rapid charge/discharge capability of 70% capacitance retention at 40 mA cm−2. Furthermore, asymmetric supercapacitor based on high‐mass‐loading MnO2/C can deliver an extremely high energy of 64.2 Wh kg−1 at a power density of 18.8 W kg−1 in an aqueous electrolyte.
Terahertz Spin‐to‐Charge Conversion by Interfacial Skew Scattering in Metallic Bilayers
Authors: Gueckstock Oliver , Nádvorník Lukáš , Gradhand Martin , Seifert Tom Sebastian , Bierhance Genaro , Rouzegar Reza , Wolf Martin , Vafaee Mehran , Cramer Joel , Syskaki Maria Andromachi , Woltersdorf Georg , Mertig Ingrid , Jakob Gerhard , Kläui Mathias , Kampfrath Tobias
Published: January 2021

The efficient conversion of spin to charge transport and vice versa is of major relevance for the detection and generation of spin currents in spin‐based electronics. Interfaces of heterostructures are known to have a marked impact on this process. Here, terahertz (THz) emission spectroscopy is used to study ultrafast spin‐to‐charge‐current conversion (S2C) in about 50 prototypical F|N bilayers consisting of a ferromagnetic layer F (e.g., Ni81Fe19, Co, or Fe) and a nonmagnetic layer N with strong (Pt) or weak (Cu and Al) spin‐orbit coupling. Varying the structure of the F/N interface leads to a drastic change in the amplitude and even inversion of the polarity of the THz charge current. Remarkably, when N is a material with small spin Hall angle, a dominant interface contribution to the ultrafast charge current is found. Its magnitude amounts to as much as about 20% of that found in the F|Pt reference sample. Symmetry arguments and first‐principles calculations strongly suggest that the interfacial S2C arises from skew scattering of spin‐polarized electrons at interface imperfections. The results highlight the potential of skew scattering for interfacial S2C and propose a promising route to enhanced S2C by tailored interfaces at all frequencies from DC to terahertz.
A Flexible Electromagnetic Interference Shielding Fabric Prepared by Construction of PANI/MXene Conductive Network via Layer‐by‐Layer Assembly
Authors: Yin Guang , Wang Yu , Wang Wei , Qu Zhongji , Yu Dan
Published: January 2021

The electromagnetic interference (EMI) shielding textiles accomplishing high‐level EMI protective performance and wear comfort has been designed and developed. 1D polyaniline nanowires and 2D transition metal carbide/carbonitride nanosheets are loaded on the carbon fiber fabric via a layer‐by‐layer (L‐b‐L) assembly approach to fabricate a functional layer and followed with a polydimethylsiloxane (PDMS) coating. The resultant fabric exhibits a high electrical conductivity of ≈325 S m−1 and the EMI shielding effectiveness ≈35.3 dB with only 0.376 mm thickness. Benefiting from the hydrophobic effect of thin PDMS film, a satisfactory self‐cleaning performance with a large contact angle of 135.2° is achieved. Furthermore, favorable flexibility, air permeability (346 mm s−1), and thermal management further broaden the field of practical application. This work can provide a new solution for next‐generation EMI shielding materials in view of the comprehensive performance.
Synthesis of Fluorescent 4‐Azapyrenes by Palladium(II)‐Catalyzed Dual C−H Bond Activation and Annulation
Authors: Hsiao Huan‐Chang , Annamalai Pratheepkumar , Jayakumar Jayachandran , Sun Shang‐You , Chuang Shih‐Ching
Published: January 2021

Unique dual‐emissive and deep‐blue/green fluorescent multi‐substituted 4‐azapyrenes with bathochromic shift emission, quantum yields up to 0.60 and long excited‐state lifetime were synthesized successfully by annulative π‐extension reactions. This synthesis constitutes a palladium‐catalyzed dehydrogenative annulation of N‐acyl‐2‐aminobiaryls with in situ 1,3‐diynes as a key step, giving substituted phenanthrenes via a rollover C−H bond activation, followed by Bischler‐Napieralski cyclization. Further π‐extension by superacid‐mediated cyclization produced a blue fluorescent naphtho 4‐azapyrene.

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Correlation between Symmetry and Phase Transition Temperature of VO2 Films Deposited on Al2O3 Substrates with Various Orientations
Authors: Choi Yesul , Lee Dooyong , Song Sehwan , Kim Jiwoong , Ju Tae‐Seong , Kim Hyegyeong , Kim Jayeong , Yoon Seokhyun , Kim Yunseok , Phan Thang Bach , Bae Jong‐Seong , Park Sungkyun
Published: January 2021

The structural aspects of the insulator–metal transition (IMT) characteristics of VO2 are sensitive to the octahedral symmetry variation of VO6. By varying substrate orientation (c‐, a‐, and m‐plane Al2O3), the correlation between IMT temperature and local symmetry is investigated. For a VO2 film deposited on m‐plane Al2O3, which has high symmetry due to fewer domain boundaries induced by m‐plane Al2O3, the IMT temperature is low (326.47 K). In contrast, for a film deposited on c‐plane Al2O3 (having lower symmetry), the IMT temperature is the highest (336.74 K) among the films used in this work. Furthermore, temperature‐dependent Raman spectra reveals that the structural phase transition temperature decreases in the order of the VO2 film deposited on c‐, a‐, and m‐plane Al2O3, suggesting that the symmetrical structure reduces the activation energy for IMT by decreasing thermodynamic energy. These results demonstrate that structural symmetry plays a crucial role in lowering the transition temperature.
Effects of Size Reduction on the Electrical Transport Properties of 3D Bi Nanowire Networks
Authors: Wagner Michael Florian Peter , Paulus Anna Sarina , Brötz Joachim , Sigle Wilfried , Trautmann Christina , Voss Kay‐Obbe , Völklein Friedemann , Toimil‐Molares Maria Eugenia
Published: January 2021

3D nanowire networks are fascinating systems for future microelectronic devices. They can be handled like macroscopic objects, while exhibiting properties of nanoscale materials. Here, the fabrication of free‐standing 3D bismuth nanowire networks with well‐controlled and systematically adjusted wire diameter and interconnectivity is presented. The samples are fabricated by pulse electroplating of bismuth into the pores of ion track‐etched membranes using an aqueous electrolyte. By optimizing the growth parameters, homogeneously grown, mechanically self‐supporting and free‐standing networks without a supporting matrix are achieved. Cross‐plane Seebeck coefficient and electrical resistance values are investigated as a function of nanowire diameter and temperature. The unique characteristics of these highly interconnected and mechanically self‐supported Bi 3D nanowire networks offer exciting perspectives for their implementation in, e.g., infrared detection based on thermoelectric effects, sensing, and THz applications.
Achieving High Thermoelectric Performance and Metallic Transport in Solvent‐Sheared PEDOT:PSS
Authors: Hinckley Allison C. , Andrews Sean C. , Dunham Marc T. , Sood Aditya , Barako Michael T. , Schneider Sebastian , Toney Michael F. , Goodson Kenneth E. , Bao Zhenan
Published: January 2021

Polymer‐based materials hold great potential for use in thermoelectric applications but are limited by their poor electrical properties. Through a combination of solution‐shearing deposition and directionally applied solvent treatments, poly(3,4‐ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) thin films with metallic‐like conductivities can be obtained with high power factors in excess of 800 µW m−1 K−2. X‐ray scattering and absorption data indicate that structural alignment of PEDOT chains and larger‐sized domains are responsible for the enhanced electrical conductivity. It is expected that further enhancements to the power factor can be obtained through device geometry and postdeposition solvent shearing optimization.
Die nächste Generation synthetischer Muschelkleberpolymere durch muschelinspirierte Polymerisation
Authors: Krüger Jana M. , Börner Hans G.
Published: January 2021

Die muschelinspirierte Polymerisation (MIPoly) stellt, inspiriert durch die Bildung von Cysteinyldopa als biogene Verknüpfungseinheit, eine Möglichkeit dar, um synthetisch adhäsive Polymere herzustellen. Hierbei wird die große Familie der chemisch vielfältigen Bisphenolmonomere eingesetzt, die durch 2‐Iodoxybenzoesäure zu Dichinonen aktiviert werden kann. Diese Dichinone reagieren in Michael‐artigen Polyadditionen mit Dithiolen, wobei Polymere mit adhäsiven Thiol‐Catechol‐Verknüpfungen (thiol–catechol connectivities, TCC) gebildet werden. Eine Reihe verschiedener TCC‐Polymere zeigte adhäsive Eigenschaften auf Aluminium und Polypropylen, wobei diese auf dem anspruchsvollen Polypropylen konkurrenzfähige Haftfestigkeiten zu handelsüblichen Epoxidharzen aufwiesen. Die MIPoly verspricht eine einfache Skalierbarkeit und hohe Modularität, wodurch maßgeschneiderte Klebstoffe hergestellt werden könnten. Dies wurde anhand einer kleinen Stoffbibliothek nachgewiesen, aus der ein Kandidat bereits eine Unterwasserklebung von Aluminium erlaubte.
On‐Surface Synthesis of Nitrogen‐Doped Kagome Graphene
Authors: Pawlak Rémy , Liu Xunshan , Ninova Silviya , D'Astolfo Philipp , Drechsel Carl , Liu Jung‐Ching , Häner Robert , Decurtins Silvio , Aschauer Ulrich , Liu Shi‐Xia , Meyer Ernst
Published: January 2021

Nitrogen‐doped Kagome graphene (N‐KG) has been theoretically predicted as a candidate for the emergence of a topological band gap as well as unconventional superconductivity. However, its physical realization still remains very elusive. Here, we report on a substrate‐assisted reaction on Ag(111) for the synthesis of two‐dimensional graphene sheets possessing a long‐range honeycomb Kagome lattice. Low‐temperature scanning tunneling microscopy (STM) and atomic force microscopy (AFM) with a CO‐terminated tip supported by density functional theory (DFT) are employed to scrutinize the structural and electronic properties of the N‐KG down to the atomic scale. We demonstrate its semiconducting character due to the nitrogen doping as well as the emergence of Kagome flat bands near the Fermi level which would open new routes towards the design of graphene‐based topological materials.
Asymmetric Hydroacylation Involving Alkene Isomerization for the Construction of C3‐Chirogenic Center
Authors: Liu Chong , Yuan Jing , Zhang Zhenfeng , Gridnev Ilya D. , Zhang Wanbin
Published: January 2021

A new transformation pattern for enantioselective intramolecular hydroacylation has been developed involving an alkene isomerization strategy. Proceeding through a five‐membered rhodacycle intermediate, 3‐enals were converted to C3‐ or C3,C5‐chirogenic cyclopentanones with satisfactory yields, diastereoselectivities, and enantioselectivities. A catalytic cycle has been theoretically calculated and the origin of the stereoselection is rationally explained.
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

Piezochromic 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

The 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

The 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

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

The 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.
Magnetic field decay in young radio pulsars
Authors: Igoshev Andrei P. , Popov Sergei B.
Published: January 2021

The role of magnetic field decay in normal radio pulsars is still debated. In this paper, we present results which demonstrate that an episode of magnetic field decay in hot young neutron stars can explain anomalous values of braking indices recently measured for more than a dozen of sources. It is enough to have few tens of per cent of such hot neutron stars in the total population to explain observables. Relatively rapid decay operates at ages ≲ few ×100 kyrs with a characteristic timescale of a similar value. We speculate that this decay can be related to electron scattering off phonons in neutron star crusts. This type of decay saturates as a neutron star cools down. Later on, a much slower decay due to crustal impurities dominates. Finally, we demonstrate that this result is in agreement with our early studies.
Hepatic transporter‐mediated pharmacokinetic drug–drug interactions: Recent studies and regulatory recommendations
Authors: Izat Nihan , Sahin Selma
Published: January 2021

Transporter‐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

Does 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

The 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

The 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

The 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

The 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

The 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

As 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

An 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

Large 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 artificial

photosynthesis.

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 conclusion

Ethanol 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.
New Energetic Complexes as Catalysts for Ammonium Perchlorate Thermal Decomposition
Authors: Lei Guorong , Zhong Ye , Xu Yiqiang , Yang Fan , Bai Jiandong , Li Zhimin , Zhang Jianguo , Zhang Tonglai
Published: January 2021

Main observation and conclusion

In this study, four new energetic complexes (1) [Cu(vimi)4]DCA2, (2) [Co(vimi)4]DCA2, (3) [Ni(vimi)4]DCA2, and (4) [Cu(vimi)4]CBH2 (vimi: 1‐vinylimidazole, DCA: dicyanamide anion, CBH: cyanoborohydride anion) were prepared, and their structures were characterized via single‐crystal X‐ray diffraction, elemental analysis, and Fourier‐transform infrared spectroscopy. The catalytic effects of the complexes on ammonium perchlorate thermal decomposition were studied via thermal analysis methods, including differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). Among the complexes, complex 2 showed the best catalytic performance. The two decomposition peaks in the DSC curve of the pure ammonium perchlorate—low‐temperature decomposition (LTD) peak: 295 °C and high‐temperature decomposition (HTD) peak: 418 °C—were merged into a lower decomposition peak (325 °C) in the curve of AP with complex 2. Moreover, the heat released by ammonium perchlorate with complex 2 (1661.7 J g−1) was significantly higher than that released by the pure ammonium perchlorate (814.5 J g−1). The kinetic parameters calculated using Kissinger's method revealed that the complexes had a significant effect on the activation energy of ammonium perchlorate decomposition (223.5 kJ mol−1), and complex 2 lowered the activation energy to 115.6 kJ mol−1. The results indicate that complex 2 is a potential energetic additive for ammonium perchlorate‐based solid propellants.
RAAS Blockade and COVID‐19: Mechanistic Modeling of Mas and AT1 Receptor Occupancy as Indicators of Pro‐Inflammatory and Anti‐Inflammatory Balance
Authors: Melissa Hallow Karen , Dave Ishaan
Published: January 2021

ACE inhibitors (ACEis) and angiotensin receptor blockers (ARBs) are standard‐of‐care treatments for hypertension and diabetes, common comorbidities among hospitalized patients with coronavirus disease 2019 (COVID‐19). Their use in the setting of COVID‐19 has been heavily debated due to potential interactions with ACE2, an enzyme that links the pro‐inflammatory and anti‐inflammatory arms of the renin angiotensin system, but also the entryway by which severe acute respiratory syndrome‐coronavirus 2 (SARS‐CoV‐2) invades cells. ACE2 expression is altered by age, hypertension, diabetes, and the virus itself. This study integrated available information about the renin angiotensin aldosterone system (RAAS) and effects of SARS‐CoV‐2 and its comorbidities on ACE2 into a mechanistic mathematical model and aimed to quantitatively predict effects of ACEi/ARBs on the RAAS pro‐inflammatory/anti‐inflammatory balance. RAAS blockade prior to SARS‐CoV‐2 infection is predicted to increase the mas‐AT1 receptor occupancy ratio up to 20‐fold, indicating that in patients already taking an ACEi/ARB before infection, the anti‐inflammatory arm is already elevated while the pro‐inflammatory arm is suppressed. Predicted pro‐inflammatory shifts in the mas‐AT1 ratio due to ACE2 downregulation by SARS‐CoV‐2 were small relative to anti‐inflammatory shifts induced by ACEi/ARB. Predicted effects of changes in ACE2 expression with comorbidities of diabetes, hypertension, or aging on mas‐AT1 occupancy ratio were also relatively small. Last, predicted changes in the angiotensin (Ang(1‐7)) production rate with ACEi/ARB therapy, comorbidities, or infection were all small relative to exogenous Ang(1‐7) infusion rates shown experimentally to protect against acute lung injury, suggesting that any changes in the ACE2‐Ang(1‐7)‐mas arm may not be large enough to play a major role in COVID‐19 pathophysiology.
Evaluation of Guangxi common wild rice for resistance to brown planthopper using a new stem evaluation method
Authors: Luo Liang , Wang Xuan , Guo Xinying , Lu Taian , Yuan Ruizhi , Liao Shanyue , Huang Suosheng , Han Yue , Usman Babar , Qin Baoxiang , Luo Jijing , Liu Fang , Huang Fengkuang , Li Rongbai
Published: January 2021

Brown planthopper [BPH,Nilaparvata lugens(Stål)] is considered one of the most important pests of rice (Oryza sativaL.), which poses a serious threat to rice production. Identifying resistantOryzagermplasm can provide reliable accessions for breeding BPH resistant rice cultivars. In this study, the stem evaluation method (SEM) was first applied to identify the BPH resistance of 1,221 accessions of common wild rice (O. rufipogonGriff.) collected from three different regions of Guangxi Province, China. From this screening, 58 BPH resistant accessions were screened a second time, with 33 accessions ultimately identified as stable, highly resistant germplasm as confirmed by a third identification at the adult‐plant stage. The distribution of the 58 BPH‐resistant common wild rice accessions varies significantly from region to region. Genotypic analyses based on 42 simple sequence repeat (SSR) markers revealed that these 58 BPH‐resistant accessions were genetically diverse, reflecting the rich genetic diversity reported in Guangxi common wild rice. Furthermore, results verified that the SEM is efficient for rapid and accurate screening of BPH‐resistant germplasm, especially when a limited number of seeds are available or elite breeding lines need to be screened immediately. Also, SEM is the best method for evaluating BPH resistance at the adult stage because fewer insects are needed, and it is possible to repeat the evaluation in the same crop season. The 33 resistant rice accessions are a potential source of novel BPH resistance genes for developing cultivars with improved BPH resistance.
Experimental study on high‐energy surface arc plasma excitation control of cylindrical detached shock wave
Authors: Tang Bingliang , Guo Shanguang , Hua Liang
Published: January 2021

In this study, an electrical parameter test system and a high‐speed Schlieren system are used to study the control of a cylindrical detached shock wave through high‐energy surface arc plasma excitation. The results show that, when plasma excitation is not applied, the bow shockwave angle around the cylinder is 52°. After the plasma excitation is applied, the arc discharge releases a large amount of heat within a short time, generating a shockwave and a control gas bulb (CGB). As a result, the bow shockwave angle first decreases and then increases, the pressure ratio before and after the shockwave decreases, and the intensity of the bow shockwave weakens. At t = 280 μs, the bow shockwave angle is reduced to a minimum of 46°. The effective interference time of high‐energy surface arc plasma excitation on a cylindrical detached shockwave is 820 μs. A high temperature is used to control the heating effect of the bubbles, which will increase the local sound velocity near the wall, reduce the local Mach number, cause the sound velocity to move online, and eventually push the bow shockwave away from the cylinder. Concurrently, heating will accelerate the gas flow, reduce the pressure, and cause the mass flow in the unit flow area of the heated area to decrease, resulting in a strong compression effect, which deforms the bow shockwave. The high‐energy surface arc plasma excitation will provide a potential technical means for high‐speed aircraft detached shockwave control.