bluuebunny/crossref_metadata_2025 huggingface dataset:
Defect Induced Polarization Loss in Multi‐Shelled Spinel Hollow Spheres for Electromagnetic Wave Absorption Application
Authors: Qin Ming , Zhang Limin , Zhao Xiaoru , Wu Hongjing
Published: February 2021

Defect engineering is an effective approach to manipulate electromagnetic (EM) parameters and enhance absorption ability, but defect induced dielectric loss dominant mechanism has not been completely clarified. Here the defect induced dielectric loss dominant mechanism in virtue of multi‐shelled spinel hollow sphere for the first time is demonstrated. The unique but identical morphology design as well as suitable composition modulation for serial spinels can exclude the disturbance of EM wave dissipation from dipolar/interfacial polarization and conduction loss. In temperature‐regulated defect in NiCo2O4 serial materials, two kinds of defects, defect in spinel structure and oxygen vacancy are detected. Defect in spinel structure played more profound role on determining materials’ EM wave dissipation than that of oxygen vacancy. When evaluated serial Co‐based materials as absorbers, defect induced polarization loss is responsible for the superior absorption performance of NiCo2O4‐based material due to its more defect sites in spinel structure. It is discovered that electron spin resonance test may be adopted as a novel approach to directly probe EM wave absorption capacities of materials. This work not only provides a strategy to prepare lightweight, efficient EM wave absorber but also illustrates the importance of defect engineering on regulation of materials’ dielectric loss capacity.
Quantum Dots‐Based Photoelectrochemical Hydrogen Evolution from Water Splitting
Authors: Jin Lei , Zhao Haiguang , Wang Zhiming M. , Rosei Federico
Published: February 2021

Solar‐driven photoelectrochemical (PEC) hydrogen evolution is a promising and sustainable approach to convert solar energy into a fuel that can be stored. Semiconductor quantum dots (QDs) are increasingly used in PEC devices due to their broad composition/size/shape tunable absorption spectrum (from ultraviolet to near‐infrared, with significant overlap with the solar spectrum). Despite significant efforts and recent progress, several major challenges remain unresolved in this fast‐developing field. Here, the latest progress in tailoring the materials, structure, and performance of QDs‐based PEC H2 generation, including photoanodes, photocathodes, and tandem PEC systems, is summarized. In particular, recent strategies developed for PEC H2 generation are critically analyzed. Specific features of QDs (e.g., size/shape/composition‐tunable absorption band edge arising from quantum confinement, ease of fabrication through chemical approaches, and multiple exciton generation), charge generation, and charge transfer of photoelectrodes and their implications on the performance of PEC devices are discussed. Future challenges and opportunities working, toward high‐efficiency and stable QDs‐based PEC applications are discussed in the conclusion.
A‐Site Management Prompts the Dynamic Reconstructed Active Phase of Perovskite Oxide OER Catalysts
Authors: Sun Yu , Li Ran , Chen Xiaoxuan , Wu Jing , Xie Yong , Wang Xin , Ma Kaikai , Wang Li , Zhang Zheng , Liao Qingliang , Kang Zhuo , Zhang Yue
Published: February 2021

Perovskites (ABX3) are promising oxygen evolution reaction (OER) catalysts for their highly intrinsic activity. The in‐depth understanding and the adjustment of dynamic reconstruction of active phases for perovskites in OER are still a daunting challenge. Here, a refined A‐site management strategy is proposed for perovskite oxides, which facilitates the surface reconstruction of the B‐site element based active phase to enhance the OER performance. Electrocatalyst LaNiO3 displays a dynamic reconstruction feature during OER with the growth of a self‐assembled NiOOH active layer, based on the in situ electrochemical Raman technology. Precise A‐site Ce doping lowers the reconstruction potential for the active phase and the dynamic structure–activity correlation is well established. Theoretical calculations demonstrate that A‐site Ce substitution upshifts the O 2p level for greater structural flexibility with optimized oxygen vacancy content, thereby activating the B‐site atom and promoting the active phase reconstruction. These results suggest that A‐site management prompts the B‐site element based active phase dynamic reconstruction via engineered X‐site content as a bridge. Therefore, indicating the strong correlation of each‐site component in perovskite oxides during OER and deepening the understanding of the fundamental processes of the structural transformation and further benefiting the accurate design of high‐efficiency perovskite OER electrocatalysts.
Gradient Descent on Multilevel Spin–Orbit Synapses with Tunable Variations
Authors: Lan Xiukai , Cao Yi , Liu Xiangyu , Xu Kaijia , Liu Chuan , Zheng Houzhi , Wang Kaiyou
Published: February 2021

Neuromorphic computing using multilevel nonvolatile memories as synapses offers opportunities for future energy‐ and area‐efficient artificial intelligence. Among these memories, artificial synapses based on current‐induced magnetization switching driven by spin–orbit torques (SOTs) have attracted great attention recently. Herein, the gradient descent algorithm, a primary learning algorithm, implemented on a 2 × 1 SOT synaptic array is reported. Successful pattern classifications are experimentally realized through the tuning of cycle‐to‐cycle variation, linearity range, and linearity deviation of the multilevel SOT synapse. Also, a larger m × n SOT synaptic array with m controlling transistors is proposed and it is found that the classification accuracies can be improved dramatically by decreasing the cycle‐to‐cycle variation. A way for the application of spin–orbit device arrays in neuromorphic computing is paved and the crucial importance of the cycle‐to‐cycle variation for a multilevel SOT synapse is suggested.
A Review of 3D‐Printable Soft Pneumatic Actuators and Sensors: Research Challenges and Opportunities
Authors: Tawk Charbel , Alici Gursel
Published: February 2021

The soft robotics field is changing the way people think, build, interact, and most importantly perceive robots. Robots have long been perceived as machines made of metals that their sole purpose is to perform repetitive tasks in isolated environments. Herein, the recently developed soft pneumatic actuators and sensors that are fabricated using additive manufacturing techniques and in which the fluid used for actuation and sensing is mainly or solely air are focused upon. This review presents the soft pneumatic actuators and sensors in terms of their types, materials, fabrication techniques, capabilities, and applications. Also, it offers a discussion on the presented 3D‐printable soft actuators and sensors along with a list of what is needed to develop robust and functional soft actuators and sensors for soft robots and how such robots will evolve in the future. This article is expected to stimulate more interaction between materials scientists and robotic researchers to synthesize soft and functional materials that meet application, function, and user requirements, in a way to implement a top‐down approach to shorten the path between science and application of soft smart materials and their use in establishing functional soft robotic systems.
Programmable Stimulation and Actuation in Flexible and Stretchable Electronics
Authors: Luan Haiwen , Zhang Yihui
Published: February 2021

Flexible and stretchable electronics represent a rapidly growing class of microsystem technologies that are revolutionizing human lives with pioneering applications in digital healthcare, personalized medicine, human–machine interface, and Internet of Things, among others. As an important aspect of smart devices, the on‐demand output capability of flexible/stretchable electronic devices, characterized by stimulation or actuation, enables active feedback and interaction to form a closed‐loop system, in combination with versatile sensing capabilities. This review summarizes some of the most important progresses on the stimulating/actuating capabilities (e.g., electrical, thermal, mechanical, optical, and chemical stimulation) of flexible/stretchable electronics, covering different mechanisms of stimulation and actuation, as well as diverse venues of applications. The stimulating/actuating capabilities in flexible/stretchable electronics play crucial roles in driving both fundamental and applied advances in research, such as medical measurement, biological study, medical therapy, and human–machine interface. Most of the existing flexible/stretchable systems use functional components to fulfill the demand of stimulation and/or actuation, with intricate strategies for system integration. Sustained advances in mechanics design concepts and high‐performance materials are the key to ensuring the evolution of flexible/stretchable electronics with enhanced stimulation and actuation capabilities. Finally, outlooks on the remaining challenges and open opportunities are provided.
Turning on Light Emission of a Dark Pro‐Aggregation‐Induced Emission Luminogen in Aqueous Media Through Reductase‐Modulated Derotation
Authors: Xu Changhuo , Zou Hang , Zhao Zheng , Zheng Zheng , Kwok Ryan T. K. , Lam Jacky W. Y. , Sung Herman H. Y. , Williams Ian D , Chen Sijie , Zheng Lei , Tang Ben Zhong
Published: February 2021

The development of dark pro‐aggregation‐induced‐emission luminogens (pro‐AIEgens) based on the solid‐state intramolecular motion–caused quenching effect has been rarely reported in biochemical analysis. Herein, an azo‐conjugated pro‐AIEgen derived from tetraphenylethene is constructed. Due to the active molecular motion of the azo bond, it retains a nonemissive property in both solution and solid forms. The obtained pro‐AIEgen can be internalized by living cells and undergo reductase‐modulated derotation under hypoxia to emit light. It shows increasing fluorescence when the intracellular oxygen concentration becomes lower, making it a potential probe to sense the hypoxic environment. The present probe can also visualize the hypoxic environment created by photodynamic therapy treatment.
Robust Cobalt Catalyst for Nitrile/Alkyne [2+2+2] Cycloaddition: Synthesis of Polyarylpyridines and Their Mechanochemical Cyclodehydrogenation to Nitrogen‐Containing Polyaromatics**
Authors: Wang Chang‐Sheng , Sun Qiao , García Felipe , Wang Chen , Yoshikai Naohiko
Published: February 2021

The transition‐metal‐catalyzed [2+2+2] cycloaddition of nitriles and alkynes is an established synthetic approach to pyridines; however, these cycloadditions often rely on the use of tethered diynes or cyanoalkynes as one of the reactants. Thus, examples of efficient, fully intermolecular catalytic [2+2+2] pyridine synthesis, especially those employing unactivated nitriles and internal alkynes leading to pentasubstituted pyridines, remain scarce. Herein, we report on simple and inexpensive catalytic systems based on cobalt(II) iodide, 1,3‐bis(diphenylphosphino)propane, and Zn that promote [2+2+2] cycloaddition of various nitriles and diarylacetylenes for the synthesis of a broad range of polyarylated pyridines. DFT studies support a reaction pathway involving oxidative coupling of two alkynes, insertion of the nitrile into a cobaltacyclopentadiene, and C‐N reductive elimination. The resulting tetra‐ and pentaarylpyridines serve as precursors to hitherto unprecedented nitrogen‐containing polycyclic aromatic hydrocarbons via mechanochemically assisted multifold reductive cyclodehydrogenation.
POSS‐inducedrheological and dielectric modification of polyethersulfone
Authors: Shankar Rahul , Kemp Lisa K. , Smith Nicholas A. , Cross Jacob A. , Chen Beibei , Nazarenko Sergei I. , Park Jin Gyu , Thornell Travis L. , Newman John K. , Morgan Sarah E.
Published: February 2021

Polyhedral oligomeric silsesquioxane (POSS) nanostructured chemicals, when incorporated at low levels in thermoplastics, provide processability enhancement and viscosity reduction without compromising other bulk physical properties. POSS has been relatively unexplored in high performance polymers, and there is incomplete understanding of the mechanisms by which POSS produces flow improvements. In this study, polyethersulfone (PES) was melt‐blended with trisilanolphenyl (TSP)‐POSS and dodecaphenyl (DP)‐POSS; and rheological, dielectric spectroscopy, and scanning electron microscopy evaluations were conducted to identify structure/property/processing relationships. TSP‐POSS yielded greater processability improvements and viscosity reductions than DP‐POSS, suppressed low temperature relaxations to a larger extent, and displayed a greater degree of nanoscale dispersion in the polymer matrix. The findings are evaluated in terms of competing theories of POSS viscosity reduction.
A triple‐targeting inhibitory activity of Rose Bengal on polysaccharide biosynthesis of Burkholderia pseudomallei
Authors: Kim Suwon , Jo Seri , Kim Mi‐Sun , Shin Dong H.
Published: February 2021

Sugar nucleotidyltransferases (SNTs) participate in various biosynthesis pathways constructing polysaccharides in Gram‐negative bacteria. In this study, a triple‐targeting inhibitory activity of Rose Bengal against SNTs such as d‐glycero‐α‐d‐manno‐heptose‐1‐phosphate guanylyltransferase (HddC), d‐glycero‐β‐d‐manno‐heptose‐1‐phosphate adenylyltransferase (HldC), and 3‐deoxy‐d‐manno‐oct‐2‐ulosonic acid cytidylyltransferase (KdsB) from Burkholderia pseudomallei is provided. Rose Bengal effectively suppresses the nucleotidyltransferase activity of the three SNTs, and its IC50 values are 10.42, 0.76, and 5.31 µM, respectively. Interestingly, Rose Bengal inhibits the three enzymes regardless of their primary, secondary, tertiary, and quaternary structural differences. The experimental results indicate that Rose Bengal possesses the plasticity to shape its conformation suitable to interact with the three SNTs. As HddC functions in the formation of capsular polysaccharides and HldC and KdsB produce building blocks to constitute the inner core of lipopolysaccharide, Rose Bengal is a potential candidate to design antibiotics in a new category. In particular, it can be developed as a specific antimelioidosis agent. As the mortality rate of the infected people caused by B. pseudomallei is quite high, there is an urgent need for specific antimelioidosis agents. Therefore, a further study is being carried out with derivatives of Rose Bengal.
Effects of the TNFRSF11B Mutation Associated With Calcium Pyrophosphate Deposition Disease in Osteoclastogenesis in a Murine Model
Authors: Mitton‐Fitzgerald Elizabeth , Gohr Claudia M. , Williams Charlene J. , Ortiz Amaryllis , Mbalaviele Gabriel , Rosenthal Ann K.
Published: February 2021

Objective

The gene TNFRSF11B encodes for osteoprotegerin (OPG) and was recently identified as the CCAL1 locus associated with familial calcium pyrophosphate deposition disease (CPDD). While the CCAL1 OPG mutation (OPG‐XL) was originally believed to be a gain‐of‐function mutation, loss of OPG activity causes arthritis‐associated osteolysis in mice, which is likely related to excess subchondral osteoclast formation and/or activity. The purpose of the present study was to further explore the effect of OPG‐XL in osteoclastogenesis.

Methods

The effects of recombinant OPG‐XL and wild‐type (WT) OPG were determined in monoculture and coculture models of RANKL‐induced osteoclastogenesis. The effects of OPG‐XL on osteoclast survival as well as on TRAIL‐induced apoptosis were determined using standard in vitro assays and compared to WT OPG. The ability of OPG‐XL and WT OPG to bind to osteoblasts was measured with enzyme‐linked immunosorbent assay and flow cytometry using the osteoblastic MC3T3‐E1 cell line.

Results

OPG‐XL was less effective than WT OPG at blocking RANKL‐induced osteoclastogenesis in monoculture and coculture models. Osteoclast survival and inhibition of TRAIL‐induced apoptosis were similar in the presence of OPG‐XL and WT OPG. Compared to WT OPG, considerably less OPG‐XL bound to cells.

Conclusion

These findings indicate that OPG‐XL is a loss‐of‐function mutation as it relates to RANKL‐mediated osteoclastogenesis, and thus may permit increased osteoclast numbers and heightened bone turnover. Further studies are necessary to demonstrate how this mutation contributes to arthritis in individuals carrying this mutation.
A new combined antegrade and retrograde approach for chronic total occlusion recanalization: Facilitated antegrade fenestration and re‐entry
Authors: Azzalini Lorenzo , Carlino Mauro
Published: February 2021

While antegrade techniques remain the cornerstone of chronic total occlusion (CTO) percutaneous coronary intervention (PCI), operators have often to resort to the retrograde approach in complex occlusions. In particular, lesions with proximal cap ambiguity, unclear vessel course and/or poor distal landing zone are difficult to tackle with either antegrade wiring or antegrade dissection and re‐entry (ADR), and often require the retrograde approach. After collateral channel crossing, the retrograde approach usually culminates with either reverse controlled antegrade and retrograde subintimal tracking (CART) or retrograde true lumen crossing. Both techniques usually involve the use of an externalization wire, which requires keeping a higher activate clotting time to prevent thrombosis of the retrograde channel and is potentially associated with risk for donor vessel injury. In 2018, we described antegrade fenestration and re‐entry (AFR), a targeted ADR technique in which fenestrations between the false and true lumen are created by antegrade balloon dilatation in the extraplaque space at the level of the distal cap, which are subsequently engaged by a polymer‐jacketed wire to achieve re‐entry. We hypothesized that AFR can also expedite antegrade crossing of the CTO after a wire has reached the distal vessel in a retrograde fashion. In this report, we present two cases in which we successfully achieved antegrade CTO crossing with AFR following retrograde advancement of a guidewire to the distal cap, in new variant of the technique, which we called “facilitated AFR”.
Interactions between cotton genotypes and Fusarium wilt race 4 isolates from Texas and resistance evaluation in cotton
Authors: Zhu Yi , Abdelraheem Abdelraheem , Wheeler Terry A. , Dever Jane K. , Wedegaertner Tom , Hake Kater D. , Zhang Jinfa
Published: February 2021

Fusarium wilt, caused by the soil‐borne fungusFusarium oxysporumf. sp.vasinfectum(FOV) race 4 (FOV4), is one of the most destructive diseases in cotton (Gossypiumspp.) in the southwestern and western Cotton Belt. However, the virulence of FOV4 is currently unknown. In this study, 17 FOV isolates collected in the Fabens, TX, area were determined to be FOV4 based on FOV4‐specific polymerase chain reaction (PCR) and sequence analysis of three genes encoding for translation elongation factor, β‐tubulin, and phosphate permease. A further multiplex PCR analysis determined that they all belonged to theTfo1/MULEMT genotype. Based on disease severity ratings (DSR) on two upland and two pima cotton lines in the greenhouse, virulence of the 17 FOV4 isolates differed but was overall congruent on the four lines, and differences among cotton genotypes accounted for 82% of the total variance. Variance in virulence due to FOV4 isolates and FOV4 isolate × cotton genotype interaction each accounted for only 8–11% of the total variance. A virulent MT FOV4 isolate was used to inoculate 104 entries representing 92 cultivars and elite lines in two tests at 21–23 °C. The combined ANOVA detected a significant genotypic variation in DSR with moderate broad‐sense heritability estimates (.62–.69). About 90–91% of the genotypes were susceptible to FOV4, including 100% mortality in 59–91% of the genotypes. Pima PHY 805 RF and three upland cultivars including FM 2334GLT, Acala 1517‐08, and Acala Daytona RF had similar resistance responses to the resistant check pima PHY 841 RF. This study demonstrated that cotton genotypes played a predominant role in determining FOV4 virulence, reinforcing the validity of using a representative isolate to screen cotton for FOV4 resistance.
Self‐reported hearing difficulty increases 3‐year risk of incident cognitive impairment: The role of leisure activities and psychological resilience
Authors: Chen Lele
Published: February 2021

Objective

Although hearing difficulty is associated with cognitive impairment, little is known about the potential mechanisms involved. This study assessed the mediating effects of leisure activities and psychological resilience on the association between hearing difficulty and cognitive impairment.

Methods

Two waves of Chinese Longitudinal Healthy Longevity Survey (2011–2014) were used in the current analysis. Hearing difficulty, leisure activities and psychological resilience were measured at baseline. Cognitive function was assessed using the Chinese version of the Mini‐Mental State Examination. The data were analyzed using generalized structural equation modeling with adjustment for confounding factors.

Results

Of the 4267 participants at baseline, 33.5% (1430) reported hearing difficulty. The incidence of cognitive impairment was 15.3% (651) during the 3‐year follow‐up. Hearing difficulty increased the risk of cognitive impairment (odds ratio [OR] = 1.59, 95% confidence intervals [CI]: 1.26–1.92). Leisure activities and psychological resilience partly mediated the association between hearing difficulty and cognitive impairment. Hearing difficulty was negatively related to leisure activities (β = −0.23, 95% CI: −0.41 to −0.05) and psychological resilience (β = −0.34, 95% CI: −0.57 to −0.11). Furthermore, leisure activities (OR = 0.92, 95% CI: 0.89–0.96) and psychological resilience (OR = 0.95, 95% CI: 0.93–0.98) would significantly decrease the risk of cognitive impairment.

Conclusions

Hearing difficulty was associated with the incidence of cognitive impairment in older adults. Leisure activities and psychological resilience mediated the relationship. Participation in leisure activity and promoting psychological resilience may be candidate interventions in preventing cognitive impairment among the individuals with hearing difficulty.
Instrumental variable‐based assessment of the effect of psychotherapy on suicide attempts, health, and economic outcomes in schizophrenia
Authors: Blæhr Emely Ek , Søgaard Rikke
Published: February 2021

The literature on the effect of psychotherapy for schizophrenia is limited and characterized by small samples and possible bias from risk selection. We examined the effects of psychotherapy on suicide attempts and health and economic outcomes using an instrumental variable (IV) approach that exploits the variation in the propensities of hospital departments to prescribe psychotherapy. This was supplemented with naïve probit models as exogeneity could not be ruled out for all of the outcomes. The validity of the instrument was examined by distributional plots and various tests. The assumed randomness in referring patients to providers with high versus low propensities to psychotherapy appeared to be a critical aspect. Splitting the sample into homogeneous provider types did not substantially alter the results. Based on the IV results, we found no support for the effect of psychotherapy on suicide attempt, psychiatric readmission, assisted living, or labor market attachment. However, we cannot rule out smaller effects due to confidence intervals including the probit estimates. The main contribution of this study is new evidence on a broad range of outcomes and a large and representative population.
Cell‐by‐cell approximate Schur complement technique in preconditioning of meshfree discretized piezoelectric equations
Authors: Cao Yang , Neytcheva Maya
Published: February 2021

The radial point interpolation meshfree discretization is a very efficient numerical framework for the analysis of piezoelectricity, in which the fundamental electrostatic equations governing piezoelectric media are solved without mesh generation. Due to the mechanical‐electrical coupling property and the piezoelectric constant, the discrete linear system is sparse, of generalized saddle point form and often very ill conditioned. In this work, we propose a technique for constructing a family of cell‐by‐cell approximate Schur complement matrices, to be used in preconditioning to accelerate the convergence of Krylov subspace iteration methods for such problems. The approximate Schur complement matrices are simply and cheaply constructed in the process of the meshfree discretization and have a sparse structure. It is proved that the so‐constructed approximate Schur complement matrices are spectrally equivalent to the exact Schur complement matrix, which leads to very fast convergence when used in preconditioning. In addition, nondimensionalization of the piezoelectric equations is considered to make the computations more stable. The robustness and the efficiency of the proposed preconditioners is illustrated numerically on two test problems, arising from a piezoelectric strip shear deformation problem and a piezoelectric strip bending problem. Numerical results show that the number of iterations to achieve a given tolerance is independent of the number of degrees of freedom as well as of the various problem parameters.
ROP of L‐lactide and ε‐caprolactone catalyzed by tin(ii) and tin(iv) acetates–switching from COOH terminated linear chains to cycles
Authors: Kricheldorf Hans R. , Weidner Steffen M.
Published: February 2021

The catalytic potential of tin(II)acetate, tin(IV)acetate, dibutyltin‐bis‐acetate and dioctyl tin‐bis‐acetate was compared based on polymerizations of L‐lactide conducted in bulk at 160 or 130°C. With SnAc2 low‐Lac/Cat ratios (15/1–50/1) were studied and linear chains having one acetate and one carboxyl end group almost free of cyclics were obtained. Higher monomer/catalyst ratios and lower temperatures favored formation of cycles that reached weight average molecular weights (Mw's) between 100,000 and 2,500,000. SnAc4 yielded mixtures of cycles and linear species under all reaction conditions. Dibutyltin‐ and dioctyl tin bis‐acetate yielded cyclic polylactides under most reaction conditions with Mw's in the range of 20,000–80,000. Ring‐opening polymerizations performed with ε‐caprolactone showed similar trends, but the formation of COOH‐terminated linear chains was significantly more favored compared to analogous experiments with lactide. The reactivity of the acetate catalysts decreased in the following order: SnAc2 > SnAc4 > Bu2SnAc2 ~ Oct2SnAc2.
The FeIVO• oxyl unit as a key intermediate in water oxidation on the FeIIIhydroxide: DFT predictions
Authors: Shubin Aleksandr A. , Kovalskii Viktor Yu. , Ruzankin Sergey Ph. , Zilberberg Igor L. , Parmon Valentin N. , Tomilin Felix N. , Avramov Pavel V.
Published: February 2021

The OO coupling process in water oxidation on the gamma FeOOH hydroxide catalyst is simulated by means of density functional theory using model iron cubane cluster Fe4O4(OH)4. A key reactive intermediate is proposed to be the HOFeIVO• oxyl unit with terminal oxo radical. The “initial” vertex FeIII(OH) moiety forms this intermediate at the calculated overpotential of 0.93 V by adding one water molecule and withdrawing two proton–electron pairs. The OO coupling goes via water nucleophilic attack on the oxyl oxygen to form the OO bond with a remarkably low barrier of 11 kcal/mol. This process is far more effective than alternative scenario based on direct interaction of two ferryl FeIVO sites (with estimated barrier of 36 kcal/mol) and is comparable with the coupling between terminal oxo center and three‐coordinated lattice oxo center (12 kcal/mol barrier). The process of hydroxylation of terminal oxygen inhibits the OO coupling. Nevertheless, being more effective for ferryl oxygen, the hydroxylation in fact enhances selectivity of the OO coupling initiated by the oxyl oxygen.
A multistate model incorporating estimation of excess hazards and multiple time scales
Authors: Weibull Caroline E. , Lambert Paul C. , Eloranta Sandra , Andersson Therese M. L. , Dickman Paul W. , Crowther Michael J.
Published: February 2021

As cancer patient survival improves, late effects from treatment are becoming the next clinical challenge. Chemotherapy and radiotherapy, for example, potentially increase the risk of both morbidity and mortality from second malignancies and cardiovascular disease. To provide clinically relevant population‐level measures of late effects, it is of importance to (1) simultaneously estimate the risks of both morbidity and mortality, (2) partition these risks into the component expected in the absence of cancer and the component due to the cancer and its treatment, and (3) incorporate the multiple time scales of attained age, calendar time, and time since diagnosis. Multistate models provide a framework for simultaneously studying morbidity and mortality, but do not solve the problem of partitioning the risks. However, this partitioning can be achieved by applying a relative survival framework, allowing us to directly quantify the excess risk. This article proposes a combination of these two frameworks, providing one approach to address (1) to (3). Using recently developed methods in multistate modeling, we incorporate estimation of excess hazards into a multistate model. Both intermediate and absorbing state risks can be partitioned and different transitions are allowed to have different and/or multiple time scales. We illustrate our approach using data on Hodgkin lymphoma patients and excess risk of diseases of the circulatory system, and provide user‐friendly Stata software with accompanying example code.
Can the Stereogenic 1,1’‐Bi‐2‐naphtol Molecule Be Coordinated to W(VI) or Mo(VI) Peroxo Moieties?
Authors: Piquemal Jean‐Yves , Herson Patrick , Chamoreau Lise‐Marie
Published: February 2021

The reaction of 1,1’‐bi‐2‐naphtol, a well‐known stereogenic 1,4‐diol used in asymmetric synthesis, with molybdenum(VI) or tungsten(VI) oxoperoxo species at room temperature leads to the cleavage of the carbon‐carbon bond linking the two naphtol units with concomitant oxidation generating 2‐hydroxy‐1,4‐naphtoquinone. This later compound acts as a bidentate chelating ligand towards the d0 metal center resulting in an anionic complex, [M(C10H5O3) O(O2)2]− (M=Mo, W), that has been characterized by single crystal X‐ray diffraction and IR and Raman spectroscopies. The formation of this compound raises the question as whether or not 1,1’‐bi‐2‐naphtol can be coordinated to peroxo Mo(VI) or W(VI) centers without being oxidatively degraded.
Ultrasound‐Assisted Expeditious Catalyst‐Free Green Approach towards Diastereoselective Synthesis of Spiro[indoline‐3,2′‐pyrido[2,1‐b][1,3]oxazine]‐3′,4′‐dicarboxylate Scaffolds
Authors: Mal Kajal , Ray Suman , Maity Suvendu , Nurjamal Khondekar , Ghosh Prasanta , Brahmachari Goutam , Mukhopadhyay Chhanda
Published: February 2021

An ultrasound assisted efficient, expeditious and environmentally benign new methodology for direct access to broad ranges of structurally interesting and pharmacologically significant spiropyrido[2,1‐b][1,3]oxazino compounds based on three component reactions approach via domino 1,4‐dipolar cycloaddition from easily available starting materials in aq. ethanol medium at room temperature (25–30 °C) has been developed. In comparison to that of conventional methods, simple experimental and workup procedure, excellent yields, good functional group tolerance, cleaner reaction profile, use of green solvent are remarkable features of this sonochemical procedure.Furthermore, using of the ultrasound in this methodology leads to the reduction of the reaction times.
Potassium Thiocyanate‐Assisted Enhancement of Slot‐Die‐Coated Perovskite Films for High‐Performance Solar Cells
Authors: Xu Fuzong , Liu Jiang , Subbiah Anand S. , Liu Wenzhu , Kang Jingxuan , Harrison George T. , Yang Xinbo , Isikgor Furkan H. , Aydin Erkan , De Bastiani Michele , De Wolf Stefaan
Published: February 2021

Slot‐die coating is highly promising for scaled deposition of metal halide perovskite thin films. However, the power conversion efficiencies (PCEs) of slot‐die‐prepared perovskite solar cells (PSCs) still lag behind their spin‐casted counterparts. To resolve this issue, the crystal size and quality of slot‐die‐coated methylammonium lead triiodide (MAPbI3) perovskite films are dramatically improved via additive engineering using potassium thiocyanate (KSCN). The modified micrometer‐thick films have an average grain size of ≈11 μm and charge‐carrier parameters that are comparable with single‐crystal perovskites, such as a 1.89 μs lifetime, 136.65 ± 31.52 cm2 V−1 s−1 mobility, and 25.15 ± 3.55 μm diffusion length. Exploiting these enhanced properties, planar inverted PSCs with negligible hysteresis are fabricated and an average and a maximum PCE of 20.14% and 21.38%, respectively, are achieved which are among the highest reported values for slot‐die‐coated PSCs. Notably, our devices have a narrow PCE distribution along the slot‐die coating axis, highlighting slot‐die coating's promise to fabricate large‐scale, high‐performance PSCs.
Research on dynamics and mechanism of treatment on phenol simulated wastewater by the ultrasound cooperated electro‐assisted micro‐electrolysis
Authors: Cai Yingying , Li Junyan , Qu Guangfei , Ren Nanqi , Zou Hongmei , Hu Yinghui , Qiu Weixia
Published: February 2021

In the research, the ultrasound was introduced to the electric‐assisted micro‐electrolysis system to improve the treatment efficiency of phenol simulated wastewater. The results showed that the phenol removal efficiency was significantly enhanced by the electric‐assisted micro‐electrolysis method in the presence of ultrasound, which could reach 88.61% under the initial value of pH 4, an iron dosage of 50 g/L, a mass ratio of iron/carbon of 1:1, and the initial phenol concentration of 100 mg/L. The degradation kinetics of phenol was in accordance with a second‐order kinetic model. The synergistic effect of the ultrasonic and electric‐assisted micro‐electrolysis method was obvious with a synergistic factor at 98.02%. The degradation mechanism of phenol was that the treatment could effectively destroy the benzene ring structure of phenol in the liquid phase with ring‐opening reaction and small molecules substances generated.

Practitioner Points

The article was the pretreatment of coking wastewater. First, the synergistic effects between ultrasound and electrochemical method through the removal ratio of phenol were found.

Second, it was showed that the initial pH and applied intensity of voltage had the effects on removal ratio of phenol by the UEME method.

Third, the synergy factor (Syn) between ultrasonic and electrochemical method was 98.02%.

Finally, the mechanism of the UEME degradation of phenol was researched. The technology could effectively improve the biodegradability of coking wastewater and provide conditions for subsequent biochemical treatment. So, we thought this article was suitable for the journal.
Nur gute Schuldner profitieren von niedrigen Zinsen
Authors: Lennartz Benedikt
Published: February 2021

Damit die Geldpolitik mit niedrigen Zinsen eine Rezession bekämpfen kann, braucht es finanziellen Spielraum bei den Schuldnern. Nur wer beim Kauf einer Immobilie einen hohen Anteil mit Eigenmitteln finanziert, kann die Gunst niedriger Zinsen nützen. Nur gute Schuldner können den Hypothekarkredit weiter aufstocken und Eigenmittel für den Konsum mobilisieren. So können Zinssenkungen die Nachfrage stabilisieren und die Rezession lindern. Wer von vornherein überschuldet ist, hat in der Rezession keinen Spielraum mehr, um mit neuen Krediten den Konsum zu steigern. Systematische Überschuldung nimmt den Zinssenkungen ihre Wirkung und lähmt die Geldpolitik.

Martin Beraja, Andreas Fuster, Erik Hurst und Joseph Vavra (2019), Regional Heterogeneity and the Refinancing Channel of Monetary Policy, Quarterly Journal of Economics, 109–183.
Brexit: Unsicherheit ist Gift für die Wirtschaft
Authors: Folger Till Nikolaus
Published: February 2021

Kommt es zu einem harten Brexit? Müssen sich die Unternehmen auf neue Zölle, kostspielige Zollformalitäten, Zeitverzögerungen an der Grenze, teure Unterbrüche in der Wertschöpfungskette, erhöhten Kapitalbedarf für die Lagerhaltung, unterschiedliche Produktstandards, abweichende Rechtsvorschriften, und weiter zunehmende Kosten einstellen? Zahlen sich für viele kleinere Unternehmen die Geschäfte mit der EU überhaupt noch aus? Oder gibt es am Ende doch noch ein kooperatives Ergebnis mit beidseitigem Marktzugang zu einem gemeinsamen, einheitlichen Binnenmarkt? Sie wissen es nicht, müssen für alle Eventualitäten planen, und schieben ihre Entscheidungen hinaus. Unsicherheit ist Gift für die Wirtschaft. Bevor überhaupt eine Entscheidung gefallen ist, bremst die Brexit-Unsicherheit die britischen Unternehmen und beeinträchtigt Investitionen und Produktivitätswachstum.

Bloom, Nicholas, Philip Bunn, Scarlet Chen, Paul Mizen, Pawel Smietanka, and Gregory Thwaites (2019), The Impact of Brexit on UK Firms, NBER WP 26.218.
Ein korrektes Verhältnis zum Staat
Authors: Essbaumer Elisabeth
Published: February 2021

Ein korrektes Verhältnis zum Staat zeichnet sich durch Gemeinsinn, Ehrlichkeit und gegenseitiges Vertrauen aus. Zivile Tugenden begünstigen nicht nur eine hohe Steuermoral, sondern ermöglichen auch bessere Politiklösungen anderswo. Die Arbeitslosenversicherung wird sehr teuer, wenn ein wachsender Teil der Arbeitslosen lieber großzügiges Arbeitslosengeld empfängt anstatt sich für die Beschäftigung zu rüsten und die Mühen der Jobsuche einzugehen. Dann muss der Staat eher auf rigorosen Kündigungsschutz setzen, um vor dem Arbeitslosenrisiko zu schützen und die Kosten der Versicherung zu begrenzen. Das würde aber die existierende Beschäftigung zementieren und verhindern, dass Arbeit von wenig produktiven Jobs zu den aufstrebenden Branchen fließt, wo das Wachstum und die zukunftsträchtige Beschäftigung stattfinden. Es lohnt sich also, die zivilen Tugenden der Bürger zu pflegen, damit der Staat auf die Arbeitslosensicherung anstatt den Kündigungsschutz setzen und die soziale Sicherheit wachstumsverträglicher gestalten kann.

Algan and Cahuc (2009), Civic Virtue and Labor Market Institutions, American Economic Journal: Macroeconomics, 111–145.
Kleiner Kredit mit grosser Wirkung?
Authors: Schuele Arnaud
Published: February 2021

Wohlstand entsteht aus Arbeit, Investition und Unternehmertum. Aber wo Armut herrscht, scheitert der Traum vom Aufstieg allzu oft an der Finanzierung, gerade in den Entwicklungsländern. Kleine Kredite könnten grosse Wirkung haben und eine nachhaltige Entwicklung anstossen. Die Realität der Mikrofinanz ist allerdings weniger beeindruckend und lässt zweifeln, dass es allein mit der Bereitstellung von Krediten getan ist. Vielleicht braucht es vorher mehr Bildung, Unternehmergeist und eine Änderung der Rollenbilder, damit nachher die Mikrofinanz bessere Ergebnisse zeitigen kann?

Banerjee, A., E. Duflo, R. Glennerster und C. Kinnan (2015), The Miracle of Microfinance? Evidence from a Randomized Evaluation, American Economic Journal: Applied Economics 7, pp.22–54.
Senkt ein hoher Selbstbehalt die Gesundheitskosten?
Authors: Lampe Immanuel
Published: February 2021

Die Gesundheitskosten in der Schweiz und damit auch die Prämien für Krankenversicherungen steigen jährlich an. In der politischen Debatte werden hohe Franchisen bisweilen als Allheilmittel betrachtet, um die Versicherten zu mehr Kostenbewusstsein anzustossen. Dabei wird immer wieder auf Evidenz zurückgegriffen, welche zeigt, dass eine höhere Franchise tatsächlich die Gesundheitskosten senkt. Aber was wäre gewonnen, wenn die Einsparungen auf Kosten der Qualität der Gesundheitsversorgung geht? Eine neue Forschungsarbeit zeigt, dass die Kosten insbesondere deshalb sinken, weil Versicherte auf durchaus sinnvolle Leistungen verzichten, während sich die Preise für die in Anspruch genommenen Leistungen kaum ändern.

Brot-Goldberg, Zarek C., Amitabh Chandra, Benjamin R. Handel und Jonathan T. Kolstad (2017), What does a Deductible Do? The Impact of Cost-Sharing on Health Care Prices, Quantities, and Spending Dynamics, Quarterly Journal of Economics 132(3), 1261–1318.
The Gb3-enriched CD59/flotillin plasma membrane domain regulates host cell invasion by Pseudomonas aeruginosa
Authors: Brandel Annette , Aigal Sahaja , Lagies Simon , Schlimpert Manuel , Meléndez Ana Valeria , Xu Maokai , Lehmann Anika , Hummel Daniel , Fisch Daniel , Madl Josef , Eierhoff Thorsten , Kammerer Bernd , Römer Winfried
Published: February 2021

The opportunistic pathogen Pseudomonas aeruginosa has gained precedence over the years due to its ability to develop resistance to existing antibiotics, thereby necessitating alternative strategies to understand and combat the bacterium. Our previous work identified the interaction between the bacterial lectin LecA and its host cell glycosphingolipid receptor globotriaosylceramide (Gb3) as a crucial step for the engulfment of P. aeruginosa via the lipid zipper mechanism. In this study, we define the LecA-associated host cell membrane domain by pull-down and mass spectrometry analysis. We unraveled a predilection of LecA for binding to saturated, long fatty acyl chain-containing Gb3 species in the extracellular membrane leaflet and an induction of dynamic phosphatidylinositol (3,4,5)-trisphosphate (PIP3) clusters at the intracellular leaflet co-localizing with sites of LecA binding. We found flotillins and the GPI-anchored protein CD59 not only to be an integral part of the LecA-interacting membrane domain, but also majorly influencing bacterial invasion as depletion of either of these host cell proteins resulted in about 50% reduced invasiveness of the P. aeruginosa strain PAO1. In summary, we report that the LecA-Gb3 interaction at the extracellular leaflet induces the formation of a plasma membrane domain enriched in saturated Gb3 species, CD59, PIP3 and flotillin thereby facilitating efficient uptake of PAO1.
Topology optimization of an acoustic diode?
Authors: Bokhari Ahmad H. , Mousavi Abbas , Niu Bin , Wadbro Eddie
Published: February 2021

By using topology optimization, we consider the problem of designing a passive acoustic device that allows for one-way flow of sound waves; such a device is often colloquially referred to as an acoustic diode. The Helmholtz equation is used to model the time harmonic linear wave propagation together with a Dirichlet-to-Neumann (DtN) type boundary condition, and the finite element method is used for discretization. The objective of this study is to maximize the wave propagation in one direction (from left to right) and minimize the wave propagation in the reverse direction (from right to left) for planar incoming waves. The method of moving asymptotes (MMA) solves the optimization problem, and a continuation approach is used for the penalizing intermediate design variables. The results for the optimized waveguide show that more than 99.8% of the power of planar incoming waves get transmitted from left to right while less than 0.3% gets transmitted in the reverse direction for planar incoming waves in the specified frequency range. Since a true diode is a non-reciprocal device and here we used a linear acoustic wave model, which is basically reciprocal, we discuss details about how it appears to be possible to obtain a one-way waveguiding effect using this linear model.
COVID-19: molecular pathophysiology, genetic evolution and prospective therapeutics—a review
Authors: Raj C. T. Dhanya , Kandaswamy Dinesh Kumar , Danduga Ravi Chandra Sekhara Reddy , Rajasabapathy Raju , James Rathinam Arthur
Published: February 2021

The Covid-19 pandemic is highly contagious and has spread rapidly across the globe. To date there have been no specific treatment options available for this life-threatening disease. During this medical emergency, target-based drug repositioning/repurposing with a continuous monitoring and recording of results is an effective method for the treatment and drug discovery. This review summarizes the recent findings on COVID-19, its genomic organization, molecular evolution through phylogenetic analysis and has recapitulated the drug targets by analyzing the viral molecular machinery as drug targets and repurposing of most frequently used drugs worldwide and their therapeutic applications in COVID-19. Data from solidarity trials have shown that the treatment with Chloroquine, hydroxychloroquine and lopinavir-ritonavir had no effect in reducing the mortality rate and also had adverse side effects. Remdesivir, Favipiravir and Ribavirin might be a safer therapeutic option for COVID-19. Recent clinical trial has revealed that dexamethasone and convalescent plasma treatment can reduce mortality in patients with severe forms of COVID-19.
Nrf2: a main responsive element in cells to mycotoxin-induced toxicity
Authors: Kozieł Marta Justyna , Kowalska Karolina , Piastowska-Ciesielska Agnieszka Wanda
Published: February 2021

Nuclear factor erythroid 2-like 2 (Nrf2) is a transcription factor participating in response to cellular oxidative stress to maintain the redox balance. Generation of reactive oxygen species (ROS) and, in consequence, oxidative stress, are physiological as well as pathological processes which take place in almost all types of cells. Nrf2, in response to oxidative stress, activates expression and production of antioxidant enzymes to remove free radicals. However, the role of Nrf2 seems to be more sophisticated and its increased expression observed in cancer cells allows to draw a conclusion that its role is tissue—and condition—dependent. Interestingly, Nrf2 might also play a crucial role in response to environmental factors like mycotoxins. Thus, the aim of the study is to review the role of Nrf2 in cells exposed to most common mycotoxins to check if the Nrf2 signaling pathway serves as the main response element to mycotoxin-induced oxidative stress in human and animal cells and if it can be a target of detoxifying agents.
Prophylactic Mesh After Midline Laparotomy: Evidence is out There, but why do Surgeons Hesitate?
Authors: Depuydt Martijn , Allaeys Mathias , de Carvalho Luis Abreu , Vanlander Aude , Berrevoet Frederik
Published: February 2021

Background

Incisional hernias have an impact on patients’ quality of life and on health care finances. Because of high recurrence rates despite mesh repair, the prevention of incisional hernias with prophylactic mesh reinforcement is currently a topic of interest. But only 15% of surgeons are implementing it, mainly because of fear for mesh complications and disbelief in the benefits. The goal of this systematic review is to evaluate the effectiveness and safety of prophylactic mesh in adult patients after midline laparotomy.

Methods

An extensive literature search was performed in PubMed, Embase and CENTRAL until 9/5/2020 for RCTs and cohort studies regarding mesh reinforcement versus primary suture closure of a midline laparotomy. The quality of the articles was analyzed using the Scottish Intercollegiate Guidelines Network checklists. Revman 5 was used to perform a meta‐analysis.

Results

Twenty‐three articles were found with a total of 1633 patients in the mesh reinforcement group and 1533 in the primary suture group. An odds ratio for incisional hernia incidence of 0.37 (95% CI = [0.30, 0.46], p < 0.01) with RCTs and of 0.15 (95% CI = [0.09,0.25], p < 0.01) in cohort studies was calculated. Seroma rate shows a significant odds ratio of 2.18 (95% CI = [1.45, 3.29], p < 0.01) in favor of primary suture. No increase was found regarding other complications.

Conclusion

The evidence for the use of prophylactic mesh reinforcement is overwhelming with a significant reduction in incisional hernia rate, but implementation in daily clinical practice remains limited. Instead of putting patients at risk for incisional hernia formation and subsequent complications, surgeons should question their arguments why not to use mesh reinforcement, specifically in high‐risk patients.