bluuebunny/crossref_metadata_2025 huggingface dataset:
Design and analysis of aspherical double-liquid lens based on planar electrode
Authors: Kong Mei-Mei , Liu Yue , Dong Yuan , Xue Yin-Yan , Pan Shi-Cheng , Zhao Rui ,   College of Electronic and Optical Engineering & College of Flexible Electronics (Future Technology), Nanjing University of Posts and Telecommunications, Nanjing 210023, China
Published: June 2023

In order to study an aspherical liquid lens with simple structure and easy realization, an aspherical double-liquid lens based on planar electrode is designed based on the dielectrophoretic effect. The droplet in the dielectric electrophoretic liquid lens is polarized in the electric field and moves towards the higher electric field strength under the action of the dielectrophoresis force. With the change of the applied voltage, the dielectrophoresis force also changes, thus the contact angle of the droplet at the solid-liquid interface changes. Firstly, the models of the aspherical double-liquid lens under different voltages are established with Comsol software, and the interfacial profile data are obtained. Then the aspherical coefficients and the surface type of the fitted interface are obtained with Matlab software. Finally, the corresponding optical model of double-liquid lens is established with Zemax software. The variable range of focal lengths and root mean square (RMS) radii of the aspherical double-liquid lens at different voltages are obtained. In order to further study the characteristics of the aspherical double-liquid lens, it is compared with a spherical double-liquid lens model. Based on the contact angle theory of liquid lens and Gaussian optics theory, the relationship between the interfacial curvature radius of the spherical liquid lens and the applied voltage, and the relationship between the focal length and the applied voltage are obtained, respectively. The liquid material, cavity structure and droplet are the same as those of the aspherical lens. The corresponding spherical double-liquid lens model is established according to the two expressions relating to Zemax, and the voltage value is the same as that of the aspherical lens. Thus, the variable ranges of focal length and RMS radius in the spot diagram of the spherical double-liquid lenses at different voltages are obtained. Then, they are compared with those of aspherical double-liquid lens, and the results show that the variable range of focal length of the aspherical double-liquid lens is larger than that of the spherical double-liquid lens, and the imaging quality of the former is better than that of the latter. Moreover, through the device fabrication and preliminary experimental analysis of the aspherical double-liquid lens, the imaging resolution can reach 40.318 lp/mm. The aspherical double-liquid lens proposed in this work has the characteristics of simple structure and easy realization, which can provide a new scheme for high-quality imaging of liquid lens and its applications, and can expand the application scope of liquid lens.
Cellular and molecular dynamics in the lungs of neonatal and juvenile mice in response to E. coli
Authors: McGrath-Morrow Sharon A , Venezia Jarrett , Ndeh Roland , Michki Nigel , Perez Javier , Singer Benjamin David , Cimbro Raffaello , Soloski Mark , Scott Alan L
Published: June 2023

Bacterial pneumonia in neonates can cause significant morbidity and mortality when compared to other childhood age groups. To understand the immune mechanisms that underlie these age-related differences, we employed a mouse model of Escherichia coli pneumonia to determine the dynamic cellular and molecular differences in immune responsiveness between neonates (PND 3–5) and juveniles (PND 12–18), at 24, 48, and 72 hr. Cytokine gene expression from whole lung extracts was also quantified at these time points, using quantitative RT-PCR. E. coli challenge resulted in rapid and significant increases in neutrophils, monocytes, and γδT cells, along with significant decreases in dendritic cells and alveolar macrophages in the lungs of both neonates and juveniles. E. coli-challenged juvenile lung had significant increases in interstitial macrophages and recruited monocytes that were not observed in neonatal lungs. Expression of IFNγ-responsive genes was positively correlated with the levels and dynamics of MHCII-expressing innate cells in neonatal and juvenile lungs. Several facets of immune responsiveness in the wild-type neonates were recapitulated in juvenile MHCII−/− juveniles. Employing a pre-clinical model of E. coli pneumonia, we identified significant differences in the early cellular and molecular dynamics in the lungs that likely contribute to the elevated susceptibility of neonates to bacterial pneumonia and could represent targets for intervention to improve respiratory outcomes and survivability of neonates.
Myoglobin-derived iron causes wound enlargement and impaired regeneration in pressure injuries of muscle
Authors: Nasir Nurul Jannah Mohamed , Heemskerk Hans , Jenkins Julia , Hamadee Nur Hidayah , Bunte Ralph , Tucker-Kellogg Lisa
Published: June 2023

The reasons for poor healing of pressure injuries are poorly understood. Vascular ulcers are worsened by extracellular release of hemoglobin, so we examined the impact of myoglobin (Mb) iron in murine muscle pressure injuries (mPI). Tests used Mb-knockout or treatment with deferoxamine iron chelator (DFO). Unlike acute injuries from cardiotoxin, mPI regenerated poorly with a lack of viable immune cells, persistence of dead tissue (necro-slough), and abnormal deposition of iron. However, Mb-knockout or DFO-treated mPI displayed a reversal of the pathology: decreased tissue death, decreased iron deposition, decrease in markers of oxidative damage, and higher numbers of intact immune cells. Subsequently, DFO treatment improved myofiber regeneration and morphology. We conclude that myoglobin iron contributes to tissue death in mPI. Remarkably, a large fraction of muscle death in untreated mPI occurred later than, and was preventable by, DFO treatment, even though treatment started 12 hr after pressure was removed. This demonstrates an opportunity for post-pressure prevention to salvage tissue viability.
Binding to nucleosome poises human SIRT6 for histone H3 deacetylation
Authors: Smirnova Ekaterina , Bignon Emmanuelle , Schultz Patrick , Papai Gabor , Ben Shem Adam
Published: June 2023

Sirtuin 6 (SIRT6) is an NAD+-dependent histone H3 deacetylase that is prominently found associated with chromatin, attenuates transcriptionally active promoters and regulates DNA repair, metabolic homeostasis and lifespan. Unlike other sirtuins, it has low affinity to free histone tails but demonstrates strong binding to nucleosomes. It is poorly understood how SIRT6 docking on nucleosomes stimulates its histone deacetylation activity. Here, we present the structure of human SIRT6 bound to a nucleosome determined by cryogenic electron microscopy. The zinc finger domain of SIRT6 associates tightly with the acidic patch of the nucleosome through multiple arginine anchors. The Rossmann fold domain binds to the terminus of the looser DNA half of the nucleosome, detaching two turns of the DNA from the histone octamer and placing the NAD+ binding pocket close to the DNA exit site. This domain shows flexibility with respect to the fixed zinc finger and moves with, but also relative to, the unwrapped DNA terminus. We apply molecular dynamics simulations of the histone tails in the nucleosome to show that in this mode of interaction, the active site of SIRT6 is perfectly poised to catalyze deacetylation of the H3 histone tail and that the partial unwrapping of the DNA allows even lysines close to the H3 core to reach the enzyme.
Binding to nucleosome poises SIRT6 for histone H3 de-acetylation
Authors: Smirnova Ekaterina , Bignon Emmanuelle , Schultz Patrick , Papai Gabor , Ben-Shem Adam
Published: June 2023

Sirtuin 6 (SIRT6) is a NAD+ dependent histone H3 deacetylase that is prominently found associated with chromatin, attenuates transcriptionally active promoters and regulates DNA repair, metabolic homeostasis and life-span. Unlike other sirtuins it has low affinity to free histone tail but demonstrates strong binding to nucleosomes. It is poorly understood how SIRT6 docking on nucleosomes stimulates its histone de-acetylation activity. Here we present the structure of human SIRT6 bound to a nucleosome determined by cryogenic electron microscopy. The zinc finger domain of SIRT6 associates tightly with the acidic patch of the nucleosome through multiple arginine anchors. The Rossmann fold domain binds to the terminus of the looser DNA half of the nucleosome, detaching two turns of the DNA from the histone octamer and placing the NAD+ binding pocket close to the DNA exit site. This domain shows flexibility with respect to the fixed zinc finger and moves with, but also relative to, the unwrapped DNA terminus. We apply molecular dynamics simulations of the histone tails in the nucleosome to show that in this mode of interaction the active site of SIRT6 is perfectly poised to catalyze deacetylation of the H3 histone tail and that the partial unwrapping of the DNA allows even lysines close to the H3 core to reach the enzyme.
Integrin β4 promotes DNA damage-related drug resistance in triple-negative breast cancer via TNFAIP2/IQGAP1/RAC1
Authors: Fang Huan , Ren Wenlong , Cui Qiuxia , Liang Huichun , Yang Chuanyu , Liu Wenjing , Wang Xinye , Liu Xue , Shi Yujie , Feng Jing , Chen Ceshi
Published: June 2023

Anti-tumor drug resistance is a challenge for human triple-negative breast cancer (TNBC) treatment. Our previous work demonstrated that TNFAIP2 activates RAC1 to promote TNBC cell proliferation and migration. However, the mechanism by which TNFAIP2 activates RAC1 is unknown. In this study, we found that TNFAIP2 interacts with IQGAP1 and Integrin β4. Integrin β4 activates RAC1 through TNFAIP2 and IQGAP1 and confers DNA damage-related drug resistance in TNBC. These results indicate that the Integrin β4/TNFAIP2/IQGAP1/RAC1 axis provides potential therapeutic targets to overcome DNA damage-related drug resistance in TNBC.
Institutional Arrangements to Enforce the Minimum Support Price (MSP) Policy Effectively in India: A Case Study of Wheat and Paddy Production in Punjab
Authors: Dev Kamal
Published: June 2023

The paper tries to examine the institutional arrangements to enforce the minimum support price (MSP) in India with a special reference to a highly agricultural-producing state, which is also known as the food bowl of India. The current study is based on the Punjab state which is an agriculturally rich state, here, paddy and wheat farmers suffered low losses as compared to other crop cultivators, but they are not separate from losses. These institutional arrangements to enforce the MSP policy examined by studying cost of Production, FHP, MSP, and crop procurement by the government agencies and their benefited farmers of wheat and paddy. The study calculated the percent change in over the period of 2012-13 to 2020-21 of costs data from the Directorate of Economics & Statistics (DES), and this study analysed the procurement data published by the Food Corporation of India (FCI) and the Ministry of Agriculture and Farmers Welfare, Government of India. The percentage analysis is used as a statistical tool for this research, to access the effectiveness of MSP by its institutional arrangements that enforce the MSP effectively. The institutional arrangements to enforcement the MSP of wheat and paddy is found to be effective in Punjab. The MSP seeks to guarantee fair prices for the growers that promote greater investment and output of the produce. The result of the paper revealed that within the time being the cost of production, cost of cultivation, FHP, MSP, and government procurement of wheat and paddy is increasing, whereas the number of benefited farmers has not significantly increased. The findings of this research unravel that wheat and paddy growers of Punjab are getting supported largely due to effective procurement by the government at the MSP. Overall, at the state of Punjab the procurement of wheat and paddy by the government agencies such as FCI and state agencies is satisfactory, and conclude that the institutional arrangements for wheat and paddy procurement at MSP in Punjab is effective in nature.
Comparative Efficacy and Economics of Biopesticides and Imidacloprid against Mustard Aphid [Lipaphis erysimi (Kalt.)] (Hemiptera: Aphididae)
Authors: Sen Manu Kumar , Kumar Ashwani
Published: June 2023

The present research study was carried out applying the Randomised Block Design (RBD) approach in three replications during the rabi season of 2022–2023 at the Central Research farm, NAI, SHUATS, Prayagraj. Results revealed that, among all the treatments combination insecticide Metarhizium anisopliae (T7) recorded lowest reduction percent of aphid (47.94%), followed by Nisco MECH 333(T6) (53.00%), Nisco MECH 333 + Neem oil 5% (T1) (54.63%), Neem oil 5% (T4) (55.33%), Spinosad 240 EC (T3) (63.94%) and Spinosad 240 EC+ Neem oil 5%(T2) (69.37%). Imidacloprid 17.8 SL (T5) (74.77%) was the most successful of all the treatments, and the first spray is also significantly more successful than the other treatments. While the Imidacloprid 17.8% SL treatment produced a superior yield (18.15 q/ha). With imidacloprid 17.8 SL(T5) (1:6.43), the best economics cost-benefit ratio was attained followed by Spinosad 240 EC+ Neem oil 5%(T2) (1:5.96), Spinosad 240 EC(T3) (1:5.64), Neem oil 5% (T4) (1:5.06), Nisco MECH 333 + Neem oil 5% (T1) (1:4.87), Metarhizium anisopliae (T7) (1:4.65), Nisco MECH 333(T6) (1:4.21), The control (1:3.25) yielded the lowest financial return.
Chilling Resistance and Physio -Chemical Changes during Cold Acclimation in Foxtail Millet Genotypes
Authors: Ananthi K. , Muthukrishnan N. , Sivagamy K. , Kumar V. Arun , Jamuna S. , Yuvaraj M.
Published: June 2023

Millets are known as poor man crops, because they grow well in rain-fed or dry land conditions with insufficient soil fertility and water. Food shortages could become more severe in the coming years as the world population rises and arable land is depleted. As a result, various strategies are needed to ensure food security. Millets are also notable for their short growth season. They can reach maturity in as little as 85 days after being sowing. Low temperature is a major environmental factor that can limiting the plant anabolic, metabolic processes and yield globally. Temperature is an extremely important growth limiting factor because it regulates plant physiological and biochemical activity throughout the growth cycle. A field study was scheduled to estimate the low temperatures effect on plant processes such as photosynthesis, respiration, water absorption, chlorophyll stability, and yield. It was done in Rabi’ 2020 and 2021 with factorial randomized block design (FRBD) with three replications. The present study was conducted to determine the low temperature effect on growth analysis and yield of tenai genotypes screening at Agricultural College and Research Institute, Vazhavachanur. Temperature stress, particularly high or low temperatures, can disrupt plant metabolism and shorten the time of distinct plant growth phases. Plants' responses to low temperature exposure can have a significant impact on various growth parameters such as leaf area, leaf area index, crop growth rate, relative water content, photosynthetic efficiency, days to 50% flowering, number of tillers, number of grains per tiller, total dry matter production, and yield. Tenai genotypes TNSi 375 and TNSi 375 recorded higher values of specific leaf area, crop growth rate, specific leaf weight, total chlorophyll content and grain yield than other genotypes under low temperature condition, Tiruvannamali district and Jawathu hill region of Vellore district.
Effect of Plant Growth Regulator on Growth, Physiology and Yield of Direct Sown Finger Millet (Eleusine coracana L.)
Authors: Srinithi P. , Mohanapriya R. , Sharmili K. , Susanpoonguzhali P.
Published: June 2023

Aims: To determine the “Effect of plant growth regulator on growth, physiology and yield of direct sown finger millet”.

Place and Duration of Study: The field experiment was conducted during rabi 2022 at South Farm, Division of Agronomy, Karunya Institute of Technology and Sciences, Coimbatore.The soil of the experimental field was sandy clay loam in texture, nearly neutral in soil reaction  (pH 5.36), level of organic carbon  (1.03%),  available  N  (289 kg/ha),  P  (115 kg/ha)  and  K  (437 kg/ha). 

Study Design: Completely randomized block design.

Methodology: T1 (RDF + Water spray - Control), T2 (100% RDF + Foliar spraying of Brassinosteroid @ 0.5 ppm), T3 (100% RDF + Foliar spraying of Gibberellic acid @10 ppm), T4 (100% RDF + Foliar spraying of Salicylic acid @100 ppm), T5 (50% RDF + Foliar spraying of Brassinosteroid @ 0.5 ppm), T6 (50% RDF + Foliar spraying of Gibberellic acid @10 ppm), T7 (50% RDF + Foliar spraying of Salicylic acid @100 ppm), T8 (Foliar spraying of Brassinosteroid @ 0.5 ppm), T9 (Foliar spraying of Gibberellic acid @10 ppm), T10 (Foliar spraying of Salicylic acid @100 ppm).

Results: The experiment was laid out in  RBD  and showed that  100% RDF + Foliar spraying of Brassinosteroid @ 0.5 ppm (T2) gave highest No. of tillers/hill, Dry matter production, leaf area index, grain yield, straw yield, harvest index, post-harvest NPK uptake of finger millet. when comparedcontrol (Farmer practice).

Conclusion: From this study, it was concluded that PGR along with nutrients application increases the nutrient uptake and yield.
Conformity Assessment in Senegal: Conformity Tests in Laboratories as the Basis for Quality Infrastructure
Authors: Tavares P. W. , Ndiath H. D. , Mbengue N. , Sarr A. , Mbow B. , Youm I.
Published: June 2023

This work focuses on quality infrastructure in the solar photovoltaic field in Senegal. On the one hand, it deals with the improvement of the quality infrastructure and on the other hand, conformity assessment accompanied by metrology and performance tests on batteries. We felt it was necessary to revisit the concepts of quality infrastructure and conformity assessment. Then in the improvement of this infrastructure metrology tests were carried out on electrical components by performing maximum error calculations to check the conformity on the voltage, the current, frequency and resistance of electrical quantities at a metrology laboratory, the African Laboratory of Metrology and Testing (LAME). We have also carried out compliance tests on batteries with the measuring equipment of the Laboratory for Quality Control of Solar photovoltaic components (LCQS), a laboratory for testing photovoltaic solar components in Senegal. The study of the batteries covers two (2) elements in one cycle with a nominal capacity of 1080Ah. The capacities calculated after the tests performed on the two (2) elements are respectively C1(t)=1223Ah and C2(t)=1318Ah.
Dextromethorphan/quinidine for the treatment of bulbar impairment in amyotrophic lateral sclerosis
Authors: Tabor Gray Lauren , Locatelli Eduardo , Vasilopoulos Terrie , Wymer James , Plowman Emily K.
Published: June 2023

Objective

No efficacious treatments exist to improve or prolong bulbar functions of speech and swallowing in persons with amyotrophic lateral sclerosis (pALS). This study evaluated the short‐term impact of dextromethorphan/quinidine (DMQ) treatment on speech and swallowing function in pALS.

Methods

This was a cohort trial conducted between August 2019 to August 2021 in pALS with a confirmed diagnosis of probable‐definite ALS (El‐Escorial Criteria‐revisited) and bulbar impairment (ALS Functional Rating Scale score ≤ 10 and speaking rate ≤ 140 words per minute) who were DMQ naïve. Efficacy of DMQ was assessed via pre‐post change in the ALS Functional Rating Scale‐Revised bulbar subscale and validated speech and swallowing outcomes. Paired t‐tests, Fisher's exact, and χ2 tests were conducted with alpha at 0.05.

Results

Twenty‐eight pALS enrolled, and 24 participants completed the 28‐day trial of DMQ. A significant increase in ALSFRS‐R bulbar subscale score pre‐ (7.47 ± 1.98) to post‐ (8.39 ± 1.79) treatment was observed (mean difference: 0.92, 95% CI: 0.46–1.36, p < 0.001). Functional swallowing outcomes improved, with a reduction in unsafe (75% vs. 44%, p = 0.003) and inefficient swallowing (67% vs. 58%, p = 0.002); the relative speech event duration in a standard reading passage increased, indicating a greater duration of uninterrupted speech (mean difference: 0.33 s, 95% CI: 0.02–0.65, p = 0.035). No differences in diadochokinetic rate or speech intelligibility were observed (p > 0.05).

Interpretation

Results of this study provide preliminary evidence that DMQ pharmacologic intervention may have the potential to improve or maintain bulbar function in pALS.
Robust 3D Network binder for Stable and High‐Performance Si‐Based Lithium‐Ion Battery Anodes
Authors: Zhao Junkai , Li Wenhao , Xie Mingzhu , Yang Kaimeng , Wei Daina , Chen Zhengjian , Zhang Ce , Wang Zhaolong , Yang Xiaojing
Published: June 2023

Silicon (Si) is becoming one of the most promising candidates for lithium‐ion batteries (LIBs) owing to its high theoretical capacity, ultralow lithiation/delithiation voltage, non‐flammability, abundant natural reserves, etc. However, Si particles undergo violent volume expansion/contraction during the charge/discharge cycles, resulting in a series of serious problems such as Si particle pulverization, solid electrolyte interphase film overgrowth, and electrode structure collapse, which severely hinders the application of silicon‐based LIBs. Herein, a composite binder crosslinked by polyacrylic acid and p‐toluene sulfonic acid protonated polyaniline is proposed to improve the electrochemical performance of Si‐based anodes. The cross‐linked composite binder processes 3D networks, fast self‐healing features, and excellent mechanical strength, which can alleviate the damage caused by the expansion of Si particles to the electrodes and protect the structural integrity of the Si‐based electrodes. As a result, the Si‐based anodes with the composite binder present excellent cycle stability (2092.9 mAh g−1 after 300 cycles at 400 mA g−1). In addition, the novel binder reveals well compatibility with commercial Si microparticles. More importantly, the self‐healing Si anode is firstly equipped in an all‐solid‐LIB with solvate ionic liquid‐based quasi‐solid electrolyte and shows excellent cycling stability as well as rate capability.
Template Pore Size and A‐Site Cation Management Dictate Luminescence Efficiency, Stability, and Wavelength in Confined Perovskite Nanostructures
Authors: da Costa Viviana C. P. , Frohna Kyle , Stranks Samuel D. , Coffer Jeffery L.
Published: June 2023

A‐site cation composition is a useful lever in optimizing the photophysical properties and stability of metal halide perovskites (MHPs). Independent of this, straightforward preparative routes to MHP nanostructures that employ a single solid‐state template with modest thermal requirements are also in demand. Here both strategies are employed in the fabrication and evaluation of luminescence properties of mixed formamidinium/cesium (CsxFA1−xPbBr3) and methylammonium/cesium (CsxMA1−xPbBr3) nanostructures formed within confining mesoporous silica of 4 and 7 nm average pore diameters. Use of such small‐pore oxide‐terminated templates produce perovskite nanostructures in the strongly confined regime, with broadly tunable emission from green to sky blue. It is found that the smallest nanostructures that are formamidinium rich exhibit the largest photoluminescence quantum efficiency values, but such values diminish by more than 50% in a 10 day period. In contrast, the same nanostructures formed within a 7 nm porous template retain their efficiency values over the same time window. The likely origins of this size‐dependent behavior are discussed in terms of pore‐size‐dependent capillary forces. Such routes may ultimately lead to improved light‐emitting diode designs composed of controlled quantum‐confined perovskites of greater intrinsic stability than other emitters such as ligand‐based colloidal nanocrystals.
Plasmonic Nanopyramid Array Enhancing Luminescence of MoS2 Investigated by Cathodoluminescence
Authors: Vu Dung Thi , Matthaiakakis Nikolaos , Sannomiya Takumi
Published: June 2023

Transition metal dichalcogenides (TMDs) like molybdenum disulfide (MoS2) have unique optical properties such as strong luminescence and a tunable bandgap. However, the small interaction distance due to the atomically thin nature of these materials is a limitation for applications. In this study, a significant enhancement of the A‐ and B‐exciton emission in MoS2 flakes through coupling with plasmonic Au nano‐pyramid arrays fabricated by a colloidal lithography technique is reported. This study experimentally maps local emission enhancement from the structure with a nanometer spatial resolution by cathodoluminescence (CL) technique. Strongly enhanced emission intensity within the MoS2‐Au pyramids is achieved due to the localized surface plasmon resonance confined in nano‐pyramids and its interaction with the periodicity‐based resonance of the array structure. The results provide an approach to significantly improve the luminescence intensity of MoS2 through optical interaction with the local plasmonic field, which is promising for applications in optoelectronic devices and nanophotonics.
Physicochemical Descriptors in Biodistribution and Clearance of Contrast Agents
Authors: Ahn Sung , Sanchez-Langeling Benjamin , Lee Jeong Heon , Henary Maged , Bao Kai , Choi Hak Soo
Published: June 2023

Hepatobiliary and renal excretions are the two major in vivo elimination pathways, of which prediction is particularly important for the optimization of systemic and/or target‐site exposure of new near‐infrared (NIR) fluorescent contrast agents. To characterize the physicochemical descriptors associated with each clearance route, a compound library containing more than 760 NIR fluorophores is analyzed and systematically reviewed in this study. Although there are a host of biochemical and physiological mechanisms that ultimately determine the in vivo fate of any given molecule, the physicochemical properties of contrast agents including molecular weight, hydrophobicity, topological polar surface area, molecular charges, and hydrogen/rotatable bonds are often indicative of each clearance route. The approach developed is anticipated to be useful in early lead identification studies when selecting NIR fluorescent contrast agents from large database screenings. It may also be applied to prioritize synthetically feasible chemical modifications during lead compound optimization.
Uncovering the Reactivity of Cobalt‐Catalyst Towards Regioselective Hydroarylation of 1,6‐Diyne via Weak‐Chelation Assisted C−H Bond Activation
Authors: Kumar Banjare Shyam , Afreen Saista , Shridhar Mahulkar Pranav , Saxena Annapurna , Ravikumar Ponneri C.
Published: June 2023

Herein, we report the reactivity of cobalt(III)‐catalyst towards hydroarylative functionalization of 1,6‐diyne, which has never been explored before. The N‐aryl lactam is the prime substrate that undergoes sp2 C−H bond activation. C−Co(III) bond formation occurs through weakly coordinating lactam group. The reaction mechanism reveals the in‐situ formation of a six‐membered cobaltacycle which undergoes further functionalization with 1,6‐diyne. Also, radical quenching experiments suggest the involvement of the ionic pathway for this conversion. In addition, hydrogen scrambling and kinetic isotope experiments support the proposed mechanism. A wide range of electronically biased substrates and reacting partners work well with this method in a highly atom‐economical fashion.
Wasserstoff und Ethylen Aktivierung durch ein sterisch verzerrtes Distiben
Authors: Pang Yue , Leutzsch Markus , Nöthling Nils , Cornella Josep
Published: June 2023

In dieser Arbeit berichten wir von der Synthese eines sterisch verzerrten Distibens ([4]2) und seiner den Übergansmetallen ähnelnden Reaktivität gegenüber den beiden bedeutenden Grundchemikalien H2 und Ethylen. Obwohl ein ungewöhnlich langer Sb=Sb‐Abstand und eine bemerkenswerte Verzerrung des Grundgerüstes im Festkörper vorliegen, zeigen NMR‐Daten, dass [4]2 auch in Lösung und bei höheren Temperaturen hauptsächlich als Dimer vorliegt. Es wird angenommen, dass die ungewöhnliche Reaktivität gegenüber H2 und Ethylen auf eine reversible Dissoziation von [4]2 in das instabile Stibiniden ([4]) zurückzuführen ist. Dies konnte mittels NMR‐Spektroskopie beobachtet werden.
Additive‐Free Transfer Hydrogenative Direct Asymmetric Reductive Amination Using a Chiral Pyridine‐Derived Half‐Sandwich Catalyst
Authors: Gao Yuan , Wang Zhijun , Zhang Xinyu , Zhao Min , Zhang Shuai , Wang Chao , Xu Liang , Li Pengfei
Published: June 2023

Chiral amines are broadly used compounds in pharmaceutical industry and organic synthesis, and reductive amination reactions have been the most appreciated methods for their syntheses. However, one‐step transfer hydrogenative direct asymmetric reductive amination (THDARA) that could expand the scope, simplify the operation and eliminate the use of additives has been challenging. In this work, based on the Xiao's racemic transfer hydrogenative reductive amination in 2010 and our recent work in novel chiral pyridine ligands, chiral half‐sandwich iridium catalysts were rationally designed and synthesized. Using the optimized catalyst and azeotropic mixture of formic acid and triethylamine as the hydrogen source, a broad range of α‐chiral (hetero)aryl amines, including various polar functional groups and heterocycles, were prepared in generally high yield and enantioselectivity under mild and operationally simple conditions. Density functional theory (DFT) calculation of the catalytically active Ir−H species and the key hydride transfer step supported the chiral pyridine‐induced stereospecific generation of the iridium center, and the enantioselection by taming the highly flexible key transition structure with multiple attractive non‐covalent interactions. This work introduced a type of effective chiral catalysts for simplified approach to medicinally important chiral amines, as well as a rare example of robust enantioselective transition‐metal catalysis.
Bright Free‐Radical Emission in Ionic Liquids
Authors: Zheng Wei , Li XuPing , Baryshnikov Glib V. , Shan Xueru , Siddique Farhan , Qian Cheng , Zhao Shengyin , Wu Hongwei
Published: June 2023

It is challenging to achieve stable and efficient radical emissions under ambient conditions. Herein, we present a rational design strategy to protect photoinduced carbonyl free radical emission through electrostatic interaction and spin delocalization effects. The host‐guest system is constructed from tricarbonyl‐substituted benzene molecules and a series of imidazolium ionic liquids as the guest and host, respectively, whereby the carbonyl anion radical emission can be in situ generated under the light irradiation and further stabilized by electrostatic interaction. More importantly, the anion species and the alkyl chain length of imidazolium ionic liquids show a noticeable effect on luminescence efficiency, with the highest radical emission efficiency is as high as 53.3 % after optimizing the imidazole ionic liquid's structure, which is about four times higher than the polymer‐protected radical system. Theoretical calculations confirm the synergistic effect of strong electrostatic interactions and that the spin delocalization effect significantly stabilizes the radical emission. Moreover, such a radical emission system also could be integrated with a fluorescent dye to induce multi‐color or even white light emission with reversible temperature‐responsive characteristics. The radical emission system can also be used to detect different amine compounds on the basis of the emission changes and photoactivation time.
Metal‐Organic Framework Glass Catalysts from Melting Glass‐Forming Cobalt‐Based Zeolitic Imidazolate Framework for Boosting Photoelectrochemical Water Oxidation
Authors: Song Yurou , Ren Yanhan , Cheng Huijie , Jiao Yuye , Shi Shaobo , Gao Lihua , Xie Huimin , Gao Junfeng , Sun Licheng , Hou Jungang
Published: June 2023

Sluggish oxygen evolution kinetics and serious charge recombination restrict the development of photoelectrochemical (PEC) water splitting. The advancement of novel metal–organic frameworks (MOFs) catalysts bears practical significance for improving PEC water splitting performance. Herein, a MOF glass catalyst through melting glass‐forming cobalt‐based zeolitic imidazolate framework (Co‐agZIF‐62) was introduced on various metal oxide (MO: Fe2O3, WO3 and BiVO4) semiconductor substrates coupled with NiO hole transport layer, constructing the integrated Co‐agZIF‐62/NiO/MO photoanodes. Owing to the excellent conductivity, stability and open active sites of MOF glass, Co‐agZIF‐62/NiO/MO photoanodes exhibit a significantly enhanced photoelectrochemical water oxidation activity and stability in comparison to pristine MO photoanodes. From experimental analyses and density functional theory calculations, Co‐agZIF‐62 can effectively promote charge transfer and separation, improve carrier mobility, accelerate the kinetics of oxygen evolution reaction (OER), and thus improve PEC performance. This MOF glass not only serves as an excellent OER cocatalyst on tunable photoelectrodes, but also enables promising opportunities for PEC devices for solar energy conversion.
Dihydrogen and Ethylene Activation by a Sterically Distorted Distibene
Authors: Pang Yue , Leutzsch Markus , Nöthling Nils , Cornella Josep
Published: June 2023

Herein, we report the synthesis of a sterically distorted distibene ([4]2) and its transition‐metal‐like reactivity towards two fundamental feedstock chemicals: H2 and ethylene. Although [4]2 exhibits an unusually long Sb=Sb distance and noticeable backbone distortion in the solid state, NMR data suggest that [4]2 remains predominantly as a dimer in solution, even at high temperatures. However, it was proposed that the elusive reactivity of [4]2 toward H2 and ethylene results from reversible dissociation of [4]2 into the transient stibinidene ([4]), which could be observed by NMR spectroscopic techniques.
Size exclusion chromatography characterization of poly (ether ether ketone), PEEK, after chemical modification
Authors: Aboelanin Hamza Mahmoud , Arndt Jan‐Hendrik , Macko Tibor , Podzimek Stepan , Brüll Robert
Published: June 2023

Characterization of the molar mass distribution (MMD) of poly (ether ether ketone) (PEEK) is very troublesome due to the insolubility of PEEK in common solvents. The solubility of PEEK may be substantially improved after its sulfonation. Sulfonated PEEK (SPEEK) was prepared by sulfonation of PEEK with 98% concentrated H2SO4 at room temperature. The presence of sulfonic acid group (‐SO3H) in PEEK matrix was confirmed by nuclear magnetic resonance and Fourier transform infrared spectroscopy. The degree of sulfonation (DS ~ 95%) was determined by proton nuclear magnetic resonance in deuterated dimethyl sulfoxide and by thermal analysis methods. The equivalent molar mass and MMD of sulfonated PEEK was determined at 30°C in three polar solvents (N,N‐dimethylacetamide, N,N‐dimethylformamide N‐methyl‐2‐pyrollidone) in PS/DVB column using calibration with PMMA standards. A salt (LiBr) was added to the solvents for suppression of undesired interactions of analytes with the column packing. Moreover, the sulphonated PEEK was separated with size exclusion chromatography (SEC) coupled to a multi‐angle light scattering (MALS) detector. It was found that the absolute average molar mass of SPEEK from the MALS detection is much closer to the value measured by SEC in N,N‐dimethylacetamide +LiBr than the values determined in N,N‐dimethylformamide and N‐methyl‐2‐pyrollidone.
High‐performance flexible piezoelectric nanogenerator with folded structure based on CNTs‐modified BCβZT/P(VDF‐HFP) composite film
Authors: Wang Wei , Cheng Bingnan , Feng Wuwei , He Bin , Liu Shuo
Published: June 2023

With the energy shortage and the increasing awareness of environmental protection, piezoelectric nanogenerator (PENG) has been widely studied in recent years. Polyvinylidene fluoride hexafluoropropylene (P(VDF‐HFP)) is an ideal matrix material because of its piezoelectricity, flexibility, and toughness. Herein, a composite film of carbon nanotubes (CNTs), Ba0.85Ca0.15Zr0.10Ti0.90O3 (BCZT), and P(VDF‐HFP) (CNTs/BCZT/P(VDF‐HFP)) were prepared via the tape casting method. Adding BCZT increased the polar β‐phase in P(VDF‐HFP), reaching a maximum when 40 wt% BCZT was incorporated. Adding CNTs to the matrix provides a conductive path inside the composite. The CNTs/BCZT/P(VDF‐HFP) composite film demonstrated optimal electrical properties when 0.3 wt% CNTs is doped, with the open circuit voltage increased from 22 to 30 V and the short circuit current increased from 3 to 5.9 μA compared with the undoped sample. The output performance of the PENG was further improved with a three‐layer folded structure, achieving an open circuit voltage of 40 V and a maximum power density of 31.5 mW m−2, which easily lit six light‐emitting diodes.
Twenty years of monitoring reveal overfishing of bony fish stocks in the coastal national park Banc d’Arguin, in Mauritania
Authors: Lemrabott Sidi Yahya Cheikhna , El‐Hacen El‐Hacen Mohamed , Piersma Theunis , Sall Amadou Abdarahmane , Sidina Ebaye , Mahmoud Lemhaba Yarba Ahmed , Olff Han , van Leeuwen Anieke
Published: June 2023

Along Africa’s western coast, many local communities rely on the ocean for their livelihood. Over the last decades, introductions of new fishing techniques along with globalizing trade have strongly changed local fishing practices.

The Parc National du Banc d’Arguin (PNBA) in Mauritania had for centuries been subjected to an artisanal, low‐impact, fishery. This fishing was exclusively oriented towards migratory bony fish species, mullet (Mugil cephalus) and meagre (Argyrosomus regius). Since the 1980s, these species have been replaced by illegal catches of internationally traded elasmobranchs (sharks and rays) and by non‐migratory and relict species (resident) such as tilapias (Sarotherodon melanotheron) and catfishes (Arius sp.).

To date, most monitoring and management efforts have been dedicated to evaluating changes in elasmobranch populations and less focus has been on bony fish species. Data from a fishery monitoring programme are used to analyse the trends in effort, catch and catch per unit of effort of bony fish species by fitting non‐parametric generalized additive models to capture changes in the fish community over the last 20 years.

Mullet and meagre became overfished early on, and the contribution of resident species (tilapias and catfishes) increased in the catches. Together with a pattern of increased effort on the traditionally targeted species, such a change in the catch could reflect a change in the fish community.

These results call for the implementation of sustainable fishing practices within PNBA. We propose the need to implement closures of fisheries during the species’ breeding periods as well as the use of biological reference points such as the size at first capture and maximum sustainable yield targets for resident species.
Biosynthesis of diisooctyl 2,5‐furandicarboxylate by Candida antarctica lipase B (CALB) immobilized on a macroporous epoxy resin
Authors: Mang Rongchen , Zhou Yuyang , Du Xuefei , Zhou Hua , Zhu Mingxin
Published: June 2023

Diisooctyl 2,5‐furandicarboxylate (DEF), an ester derivative of 2,5‐furandicarboxylic acid (FDCA, a bio‐based platform chemical), resembles the physical and chemical properties of phthalates. Due to its excellent biodegradability, DEF is considered a safer alternative to the hazardous phthalate plasticizers. Although FDCA esters are currently mainly produced by chemical synthesis, the enzymatic synthesis of DEF is a green, promising alternative. The current study investigated the biosynthesis of DEF by Candida antarctica lipase B (CALB) immobilized on macroporous resins. Out of five macroporous resins (NKA‐9, LX‐1000EP, LX‐1000HA, XAD‐7HP, and XAD‐8) evaluated, the LX‐1000EP epoxy resin was identified as the best carrier for CALB, and the XAD‐7HP weakly polar resin was identified as the second best. The optimal immobilization conditions were as follows: CALB (500 μL) and LX‐1000EP (0.1 g) were incubated in phosphate butter (20 mM, pH 6.0) for 10 h at 35°C. The resulting immobilized CALB (EP‐CALB) showed an activity of 639 U/g in the hydrolysis of p‐nitrophenyl acetate, with an immobilization efficiency of 87.8% and an activity recovery rate of 56.4%. Using 0.02 g EP‐CALB as the catalyst in 10 mL toluene, and the molar ratio of 2,5‐dimethyl furanediformate (1 mmol/mL) and isooctyl alcohol (4 mmol/mL) that was 1:4, a DEF conversion rate of 91.3% was achieved after a 24‐h incubation at 50°C. EP‐CALB had similar thermal stability and organic solvent tolerance compared to Novozym 435, and both were superior to CALB immobilized on the XAD‐7HP resin. EP‐CALB also exhibited excellent operational stability, with a conversion rate of 52.6% after 10 repeated uses. EP‐CALB could be a promising alternative to Novozym 435 in the biomanufacturing of green and safe plasticizers such as DEF.
Quantitative dopamine transporter imaging assessment in Parkinson's disease patients carrying GBA gene mutations compared with idiopathic PD patients: A case‐control study
Authors: Grisanti Sara , Fraternali Alessandro , Cavallieri Francesco , Fioravanti Valentina , Casali Massimiliano , Toschi Giulia , Ferri Laura , Sabadini Rossella , Zedde Marialuisa , Salomone Gaetano , Napoli Manuela , Pascarella Rosario , Ferrari Valeria , Scarano Maria , Biagini Giuseppe , Scaglioni Augusto , Moro Elena , Versari Annibale , Valzania Franco
Published: June 2023

Background

Genetic risk factors impact around 15% of Parkinson's disease (PD) patients and at least 23 variants have been identified including Glucocerebrosidase (GBA) gene variants. Using different clinical and instrumental qualitative‐based data, various studies have been published on GBA‐PD cohorts which suggested possible differences in dopaminergic nigrostriatal denervation pattern, particularly in caudate and putamen nuclei.

Methods

This retrospective study included two consecutive homogenous cohorts of GBA‐PD and idiopathic (I‐PD) patients. Each consecutive GBA‐PD patient has been matched with a 1:1 pairing method with a consecutive I‐PD subject according to age, age at disease onset, sex, Hoehn & Yahr (H&Y) staging scale and comorbidity level (CCI). Semiquantitative volumetric data by the DaTQUANTTM software integrated in the DaTSCAN exam performed at time of the diagnosis (SPECT imaging performed according to current guidelines of I‐123 FPCIT SPECT imaging) were extrapolated. Bilateral specific binding ratios (SBR) at putamen and caudate levels were calculated, using the occipital lobes uptake. The Mann–Whitney test was performed to compare the two cohorts while the Spearman's test was used to find correlations between motor and volumetric data in each group. Bonferroni correction was used to account for multiple comparisons.

Results

Two cohorts of 25 patients each (GBA‐PD and I‐PD), were included. By comparing GBA‐PD and I‐PD patients, lower SBR values were found in the most affected anterior putamen and left caudate of the GBA‐PD cohort. Furthermore, in the GBA‐PD cohort the SBR of the most affected posterior putamen negatively correlated with the H&Y scale. However, none of these differences or correlations remained significant after Bonferroni correction for multiple comparisons.

Conclusions

We observed differences in SBR values in GBA‐PD patients compared with I‐PD. However, these differences were no longer significant after Bonferroni multiple comparisons correction highlighting the need for larger, longitudinal studies.
Development of cancer surveillance guidelines in ataxia telangiectasia: A Delphi‐based consensus survey of international experts
Authors: Neves Renata , De Dios Perez Blanca , Panek Rafal , Jagani Sumit , Wilne Sophie , Bhatt Jayesh M. , Caputi Caterina , Cirillo Emilia , Coman David J. , Dückers Gregor , Gilbert Donald L. , Kay Koenig Mary , Mansour Lobna , McDermott Elizabeth , Pauni Micaela , Pignata Claudio , Perlman Susan L. , Porras Oscar , Betina Porto Mariela , Schon Katherine , Soler‐Palacin Pere , Nick Russo Sam , Takagi Masatoshi , Tischkowitz Marc , Wainwright Claire , Dandapani Madhumita , Glazebrook Cristine , Suri Mohnish , Whitehouse William P. , Dineen Robert A.
Published: June 2023

Background/Objectives

Ataxia telangiectasia (A‐T) is a multiorgan disorder with increased vulnerability to cancer. Despite this increased cancer risk, there are no widely accepted guidelines for cancer surveillance in people affected by A‐T. We aimed to understand the current international practice regarding cancer surveillance in A‐T and agreed‐upon approaches to develop cancer surveillance in A‐T.

Design/Methods

We used a consensus development method, the e‐Delphi technique, comprising three rounds. Round 1 consisted of a Delphi questionnaire and a survey that collected the details of respondents' professional background, experience, and current practice of cancer surveillance in A‐T. Rounds 2 and 3 were designed based on previous rounds and modified according to the comments made by the panellists. The pre‐specified consensus threshold was ≥75% agreement.

Results

Thirty‐five expert panellists from 13 countries completed the study. The survey indicated that the current practice of cancer surveillance varies widely between experts and centres'. Consensus was reached that evidence‐based guidelines are needed for cancer surveillance in people with A‐T, with separate recommendations for adults and children. Statements relating to the tests that should be included, the age for starting and stopping cancer surveillance and the optimal surveillance interval were also agreed upon, although in some areas, the consensus was that further research is needed.

Conclusion

The international expert consensus statement confirms the need for evidence‐based cancer surveillance guidelines in A‐T, highlights key features that the guidelines should include, and identifies areas of uncertainty in the expert community. This elucidates current knowledge gaps and will inform the design of future clinical trials.
Development and validation of a nomogram for predicting the overall survival of patients with testicular cancer
Authors: Yu Haohui , Feng Bin , Zhang Yunrui , Lyu Jun
Published: June 2023

Background

The purpose of this study was to develop and validate a nomogram to predict survival in testicular cancer patients.

Methods

Testicular cancer patients diagnosed between 2004 and 2015 from the Surveillance, Epidemiology, and End Results (SEER) database were selected for this study. A random sampling method was used to divide patients into training and validation cohorts, which accounted for 30% and 70% of the total sample, respectively. The nomogram was developed using the training cohort and evaluated using the C index, calibration chart, and area under the receiver operating characteristic curve (AUC).

Results

Seven risk factors that affect the survival of testicular cancer patients (AJCC stage, marital status, age at diagnosis, race, SEER historic stage A, surgery status, and origin) were identified using Cox proportional hazard regression analysis. The nomogram has a higher C index (0.897) and AUC when compared with the AJCC staging system. The results of the calibration chart of the nomogram show that the predicted survival of testicular cancer patients at 3, 5, and 10 years after diagnosis is very close to their actual survival.

Conclusions

We developed and validated a nomogram for predicting the survival rate of testicular cancer patients at 3, 5, and 10 years after diagnosis. This nomogram has better discrimination, calibration, and clinical validity than the AJCC staging system. This indicates that the nomogram can be used to predict the survival of testicular cancer patients effectively, and provide a reference for patient treatment strategies.