bluuebunny/crossref_metadata_2025 huggingface dataset:
Studies on the Comparative Effects of Cow Dung, Goat Dung and Poultry Manure in the Restoration of Gully Eroded Soil Using Amaranthus hybridus as Test Plant
Authors: Ekwealor K. U. , Anukwuorji C. A. , Egboka T. P. , Eze H. N.
Published: June 2020

Gully erosion presents a serious challenge to the fertility of the agricultural soil. This experiment was conducted at the permanent site of Nnamdi Azikiwe University behind botany laboratory. The efficacy of cow dung, goat dung and poultry manure on the restoration of gully eroded soil was tested. The experiment was laid in a Randomized Block Design (RBD) with five treatments replicated thrice. Five kilogram of eroded soil was mixed uniformly with 1.5 kg of the different manure treatments. This treatment or amendment include goat dung, poultry mature, cow dung mixed with goat dung and poultry manure weighing 0.5 kg respectively to make up the 1.5 kg required treatment. Also another one was set without treatment to serve as control. Each of these treatments was replicated thrice making a sum total of 15 perforated polythene bags. Stem height, leaf area, number of leaves and stem girth of the test plant (A. hybridus) were checked and measured weekly as the plant germinates and grows. Collection of soil analysis of the samples to determine the amounts of carbon and nitrogen was carried out at the end of the practical. The data collected were subjected to analysis of variance (ANOVA) to test the significance of treatment. It was observed that the highest carbon and nitrogen content were observed from gully eroded soil treated with Cow dung mixed with goat dung and poultry manure (0.205±0.001 and 1.397±0.006) while the least was observed from the control (0.065±0.000 and 0.673±0.001) respectively. There was a significant difference in the effect of the different treatments on all the parameters checked except on the stem girth and number of leaves. The inference of this study suggests that the mixture of cow dung, goat dung and poultry droppings can be used to restore the fertility of gully eroded soil.
Effect of Cow Urine Foliar Spray on Quality Attributes and Chemical Characteristics of Byadgi chilli (Capsicum annuum L.) in a Vertisol
Authors: Shaziya K. L. , Bidari B. I. , Hundekar S. T. , Pushpalatha M.
Published: June 2020

A field experiment was conducted during kharif 2018 in the farmer’s field at Agadi village (Tq: Hubballi) in Dharwad district to investigate the “Effect of cow urine foliar spray on quality attributes and chemical characteristics of Byadgi chilli (Capsicum annuum L.) in a Vertisol”. Experiment consisted of 12 treatments with three replications laid out in Completely Randomized Block Design. Results revealed that, two foliar applications of 15 per cent cow urine one each at 60 and 90 DAT recorded highest colour value (201.65 ASTA units), closely followed by treatment that received two sprays of 10 per cent cow urine on 60 + 90 DAT (194.50 ASTA units). Highest oleoresin content (20.23%) was noticed in the treatment that received 15 per cent cow urine spray on 60 + 90 DAT which was on par with treatment that received two sprays of 10 per cent cow urine (19.56%). Highest capsaicin content (0.16%) was recorded in the treatment that received 15 % cow urine spray at 60 DAT as well as cow urine spray at 60 DAT + 90 DAT and also 50 ppm NAA spray at 60 DAT.

Foliar spray of cow urine did not significantly influenced the total ash, total sugars and total ether extract contents in fruits which ranged from 5.95 to 6.96, 18.20 to 19.89 and 14.10 to 15.20 per cent respectively. Treatment that received one spray of 15 per cent cow urine on 90 DAT recorded numerically highest (6.96%) total ash closely followed by treatment (6.83%) that received five per cent foliar spray at 60 + 90 DAT. Treatment that received two sprays of 15 per cent cow urine recorded numerically highest (19.89%) total sugars closely followed by treatment (19.78%) that received 5 per cent foliar spray at 90 DAT. Treatment that received two sprays of 10 per cent cow urine recorded highest total ether extract (15.20%) closely followed by treatment (14.93%) that received 5 per cent foliar spray at 60 + 90 DAT.
Role of ultraviolet mutational signature versus tumor mutation burden in predicting response to immunotherapy
Authors: Pham Timothy V. , Boichard Amélie , Goodman Aaron , Riviere Paul , Yeerna Huwate , Tamayo Pablo , Kurzrock Razelle
Published: June 2020

Hydrophobic neoantigens are more immunogenic because they are better presented by the major histocompatibility complex and better recognized by T cells. Tumor cells can evade the immune response by expressing checkpoints such as programmed death ligand 1. Checkpoint blockade reactivates immune recognition and can be effective in diseases such as melanoma, which harbors a high tumor mutational burden (TMB). Cancers presenting low or intermediate TMB can also respond to checkpoint blockade, albeit less frequently, suggesting the need for biological markers predicting response. We calculated the hydrophobicity of neopeptides produced by probabilistic in silico simulation of the genomic UV exposure mutational signature. We also computed the hydrophobicity of potential neopeptides and extent of UV exposure based on the UV mutational signature enrichment (UVMSE) score in The Cancer Genome Atlas (TCGA; N = 3543 tumors), and in our cohort of 151 immunotherapy‐treated patients. In silico simulation showed that UV exposure significantly increased hydrophobicity of neopeptides, especially over multiple mutagenic cycles. There was also a strong correlation (R2 = 0.953) between weighted UVMSE and hydrophobicity of neopeptides in TCGA melanoma patients. Importantly, UVMSE was able to predict better response (P = 0.0026), progression‐free survival (P = 0.036), and overall survival (P = 0.052) after immunotherapy in patients with low/intermediate TMB, but not in patients with high TMB. We show that higher UVMSE scores could be a useful predictor of better immunotherapy outcome, especially in patients with low/intermediate TMB, likely due to increased hydrophobicity (and hence immunogenicity) of neopeptides.
Recombinant Soluble TNF‐α Receptor Fusion Protein Therapy Reduces Insulin Resistance in Non‐Diabetic Active Rheumatoid Arthritis Patients
Authors: Wang Chrong‐Reen , Liu Ming‐Fei
Published: June 2020

Objective

Current evidence highlights a link between insulin resistance (IR) and disease activity in rheumatoid arthritis (RA), suggesting that insulin sensitivity can be improved by treating patients with TNF‐α blockers. Although reduced IR has been shown in RA patients who receive monoclonal antibody treatment, the efficacy remains to be elucidated when using recombinant soluble receptor fusion proteins. In particular, etanercept (ETA) is capable of blocking lymphotoxin‐α, a cytokine‐related to IR‐associated disease status.

Methods

A prospective study was carried out in nondiabetic active RA patients receiving a 25‐mg subcutaneous ETA injection twice weekly.

Results

Thirty patients aged 31 to 73 years (50.9 ± 10.6), naïve to biological and targeted synthetic disease‐modifying antirheumatic drugs with DAS28 scores of 5.17 to 7.49 (6.11 ± 0.66), were classified into high‐IR and low‐IR groups based on their baseline homeostatic model assessment (HOMA)‐IR levels. No differences were found between the two groups in terms of age, sex, weight, body mass index, seropositivity, and medication profiles before the injection. After a 24‐week therapeutic period, there were reduced HOMA‐IR levels in all patients in the high‐IR group (3.390 ± 0.636 to 2.234 ± 0.870, P < 0.001). A greater decrease in DAS28 values was found in patients with reduced IR than those without a reduction (2.54 ± 0.67 versus 1.46 ± 0.46, P = 0.006) in the low‐IR group.

Conclusion

We observed an improvement in insulin sensitivity in nondiabetic active RA patients following 24‐week recombinant soluble TNF‐α receptor fusion protein therapy.
Wiener system identification by input injection method
Authors: Mzyk Grzegorz , Wachel Paweł
Published: June 2020

The article addresses the problem of nonlinear system identification with particular focusing on Wiener models. The proposed input injection methodology allows for identification of a working system—without stopping its usual operation, production processes, and so on. The only interferences are the slight random injections added to the input signal, which—by assumption—do not disturb the overall system's functionality. Such input injections allow to limit the curse of dimensionality issues, particularly troublesome in many approaches proposed in the literature for the Wiener system identification. Furthermore, all the requirements concerning the applicability of the method are rather mild. In particular, it is assumed that the static nonlinear characteristic is of nonparametric form and the existence of its two derivatives is needed for the consistency of the proposed estimate. The class of admissible output noises is also rather wide and does not exclude processes correlated with inputs signals.
Synthesis of Ionic Ultramicroporous Polymers for Selective Separation of Acetylene from Ethylene
Authors: Suo Xian , Cui Xili , Yang Lifeng , Xu Nan , Huang Yuqi , He Yi , Dai Sheng , Xing Huabin
Published: June 2020

The design of highly stable and efficient porous materials is essential for developing breakthrough hydrocarbon separation methods based on physisorption to replace currently used energy‐intensive distillation/absorption technologies. Efforts to develop advanced porous materials such as zeolites, coordination frameworks, and organic polymers have met with limited success. Here, a new class of ionic ultramicroporous polymers (IUPs) with high‐density inorganic anions and narrowly distributed ultramicroporosity is reported, which are synthesized by a facile free‐radical polymerization using branched and amphiphilic ionic compounds as reactive monomers. A covalent and ionic dual‐crosslinking strategy is proposed to manipulate the pore structure of amorphous polymers at the ultramicroporous scale. The IUPs exhibit exceptional selectivity (286.1–474.4) for separating acetylene from ethylene along with high thermal and water stability, collaboratively demonstrated by gas adsorption isotherms and experimental breakthrough curves. Modeling studies unveil the specific binding sites for acetylene capture as well as the interconnected ultramicroporosity for size sieving. The porosity‐engineering protocol used in this work can also be extended to the design of other ultramicroporous materials for the challenging separation of other key gas constituents.
Micro‐ and Nanopatterning of Halide Perovskites Where Crystal Engineering for Emerging Photoelectronics Meets Integrated Device Array Technology
Authors: Jeong Beomjin , Han Hyowon , Park Cheolmin
Published: June 2020

Tremendous efforts have been devoted to developing thin film halide perovskites (HPs) for use in high‐performance photoelectronic devices, including solar cells, displays, and photodetectors. Furthermore, structured HPs with periodic micro‐ or nanopatterns have recently attracted significant interest due to their potential to not only improve the efficiency of an individual device via the controlled arrangement of HP crystals into a confined geometry, but also to technologically pixelate the device into arrays suitable for future commercialization. However, micro‐ or nanopatterning of HPs is not usually compatible with conventional photolithography, which is detrimental to ionic HPs and requires special techniques. Herein, a comprehensive overview of the state‐of‐the‐art technologies used to develop micro‐ and nanometer‐scale HP patterns, with an emphasis on their controlled microstructures based on top‐down and bottom‐up approaches, and their potential for future applications, is provided. Top‐down approaches include modified conventional lithographic techniques and soft‐lithographic methods, while bottom‐up approaches include template‐assisted patterning of HPs based on lithographically defined prepatterns and self‐assembly. HP patterning is shown here to not only improve device performance, but also to reveal the unprecedented functionality of HPs, leading to new research areas that utilize their novel photophysical properties.
High‐Performance Zinc Tin Oxide TFTs with Active Layers Deposited by Atomic Layer Deposition
Authors: Allemang Christopher R. , Cho Tae H. , Trejo Orlando , Ravan Shantam , Rodríguez Robin E. , Dasgupta Neil P. , Peterson Rebecca L.
Published: June 2020

New deposition techniques for amorphous oxide semiconductors compatible with silicon back end of line manufacturing are needed for 3D monolithic integration of thin‐film electronics. Here, three atomic layer deposition (ALD) processes are compared for the fabrication of amorphous zinc tin oxide (ZTO) channels in bottom‐gate, top‐contact n‐channel transistors. As‐deposited ZTO films, made by ALD at 150–200 °C, exhibit semiconducting, enhancement‐mode behavior with electron mobility as high as 13 cm2 V−1 s−1, due to a low density of oxygen‐related defects. ZTO deposited at 200 °C using a hybrid thermal‐plasma ALD process with an optimal tin composition of 21%, post‐annealed at 400 °C, shows excellent performance with a record high mobility of 22.1 cm2 V–1 s–1 and a subthreshold slope of 0.29 V dec–1. Increasing the deposition temperature and performing post‐deposition anneals at 300–500 °C lead to an increased density of the X‐ray amorphous ZTO film, improving its electrical properties. By optimizing the ZTO active layer thickness and using a high‐k gate insulator (ALD Al2O3), the transistor switching voltage is lowered, enabling electrical compatibility with silicon integrated circuits. This work opens the possibility of monolithic integration of ALD ZTO‐based thin‐film electronics with silicon integrated circuits or onto large‐area flexible substrates.
Unraveling Structure and Device Operation of Organic Permeable Base Transistors
Authors: Darbandy Ghader , Dollinger Felix , Formánek Petr , Hübner René , Resch Stefan , Roemer Christian , Fischer Axel , Leo Karl , Kloes Alexander , Kleemann Hans
Published: June 2020

Organic permeable base transistors (OPBTs) are of great interest for flexible electronic circuits, as they offer very large on‐current density and a record‐high transition frequency. They rely on a vertical device architecture with current transport through native pinholes in a central base electrode. This study investigates the impact of pinhole density and pinhole diameter on the DC device performance in OPBTs based on experimental data and TCAD simulation results. A pinhole density of NPin = 54 µm−2 and pinhole diameters around LPin = 15 nm are found in the devices. Simulations show that a variation of pinhole diameter and density around these numbers has only a minor impact on the DC device characteristics. A variation of the pinhole diameter and density by up to 100% lead to a deviation of less than 4% in threshold voltage, on/off current ratio, and sub‐threshold slope. Hence, the fabrication of OPBTs with reliable device characteristics is possible regardless of statistical deviations in thin film formation.
Yield tradeoffs and weed suppression in a winter annual oilseed relay‐cropping system
Authors: Hoerning Cody , Wells M. Scott , Gesch Russ , Forcella Frank , Wyse Donald
Published: June 2020

Midwest crop production is dominated by two summer annual crops grown in rotation, corn (Zea mays L.) and soybean (Glycine max [L.] Merr.). This rotation leaves a productivity gap during the spring and autumn. Winter oilseed crops, such as pennycress (Thlaspi arvense L.), and winter camelina (Camelina sativa [L.] Crantz), can fill this gap and provide ecosystem and economic benefits. The objectives of this study were to: (i) examine the tradeoffs between soybean and winter oilseed yields in the relay‐cropping system, (ii) determine legacy effects on corn 1 yr after oilseed–soybean relay‐cropping, and (iii) evaluate the weed suppression abilities of the winter oilseeds. Three sites were used across Minnesota to evaluate winter oilseeds and commodity crop yields in a relay‐cropping production system. Total seed production of the system (winter oilseed crop + soybean) was increased by 20% at one site, whereas at the other two sites, total yields were similar when compared to mono‐cropped soybean. Soybean yield was reduced at two of the three sites by 20 and 47% by the inclusion of winter oilseeds. Soybean yield was unaffected by inclusion of winter oilseeds at the third site. In the subsequent year, corn yield was unaffected by the winter oilseed treatments. Weeds were suppressed by the winter oilseeds crops. Pennycress reduced weed biomass by 97% to 100%, and camelina treatment reduced weed biomass by 85% to 87%. The inclusion of winter oilseeds in the corn–soybean cropping system can increase overall seed production and suppress early season weeds.
Flapping Peryleneimide as a Fluorogenic Dye with High Photostability and Strong Visible‐Light Absorption
Authors: Kimura Ryo , Kuramochi Hikaru , Liu Pengpeng , Yamakado Takuya , Osuka Atsuhiro , Tahara Tahei , Saito Shohei
Published: June 2020

Flapping fluorophores (FLAP) with a flexible 8π ring are rapidly gaining attention as a versatile photofunctional system. Here we report a highly photostable “flapping peryleneimide” with an unprecedented fluorogenic mechanism based on a bent‐to‐planar conformational change in the S1 excited state. The S1 planarization induces an electronic configurational switch, almost quenching the inherent fluorescence (FL) of the peryleneimide moieties. However, the FL quantum yield is remarkably improved with a prolonged lifetime upon a slight environmental change. This fluorogenic function is realized by sensitive π‐conjugation design, as a more π‐expanded analogue does not show the planarization dynamics. With strong visible‐light absorption, the FL lifetime response synchronized with the flexible flapping motion is useful for the latest optical techniques such as FL lifetime imaging microscopy (FLIM).
A 3D Hydroxylated MXene/Carbon Nanotubes Composite as a Scaffold for Dendrite‐Free Sodium‐Metal Electrodes
Authors: He Xin , Jin Song , Miao Licheng , Cai Yichao , Hou Yunpeng , Li Haixia , Zhang Kai , Yan Zhenhua , Chen Jun
Published: June 2020

Sodium metal is a promising anode, but uneven Na deposition with a dendrite growth seriously impedes its application. Herein, a fibrous hydroxylated MXene/carbon nanotubes (h‐Ti3C2/CNTs) composite is designed as a scaffold for dendrite‐free Na metal electrodes. This composite displays fast Na+/electron transport kinetics and good thermal conductivity and mechanical properties. The h‐Ti3C2 contains abundant sodiophilic functional groups, which play a significant role in inducing homogeneous nucleation of Na. Meanwhile, CNTs provide high tensile strength and ease of film‐forming. As a result, h‐Ti3C2/CNTs exhibit a high average Coulombic efficiency of 99.2 % and no dendrite after 1000 cycles. The h‐Ti3C2/CNTs/Na based symmetric cells show a long lifespan over 4000 h at 1.0 mA cm−2 with a capacity of 1.0 mAh cm−2. Furthermore, Na‐O2 batteries with a h‐Ti3C2/CNTs/Na anode exhibit a low potential gap of 0.11 V after an initial 70 cycles.
Sample size calculation based on precision for pilot sequential multiple assignment randomized trial (SMART)
Authors: Yan Xiaoxi , Ghosh Palash , Chakraborty Bibhas
Published: June 2020

The sequential multiple assignment randomized trial (SMART) is a design used to develop dynamic treatment regimes (DTRs). Given that DTRs are generally less well researched, pilot SMART studies are often necessary. One challenge in pilot SMART is to determine the sample size such that it is small yet meaningfully informative for future full‐fledged SMART. Here, we develop a precision‐based approach, where the calculated sample size confines the marginal mean outcome of a DTR within a prespecified margin of error. The sample size calculations will be presented for two‐stage SMARTs, and for various common outcome types.
Pathway engineering of Escherichia coli for α‐ketoglutaric acid production
Authors: Chen Xiulai , Dong Xiaoxiang , Liu Jia , Luo Qiuling , Liu Liming
Published: June 2020

α‐Ketoglutaric acid (α‐KG) is a multifunctional dicarboxylic acid in the tricarboxylic acid (TCA) cycle, but microbial engineering for α‐KG production is not economically efficient, due to the intrinsic inefficiency of its biosynthetic pathway. In this study, pathway engineering was used to improve pathway efficiency for α‐KG production in Escherichia coli. First, the TCA cycle was rewired for α‐KG production starting from pyruvate, and the engineered strain E. coli W3110Δ4‐PCAI produced 15.66 g/L α‐KG. Then, the rewired TCA cycle was optimized by designing various strengths of pyruvate carboxylase and isocitrate dehydrogenase expression cassettes, resulting in a large increase in α‐KG production (24.66 g/L). Furthermore, acetyl coenzyme A (acetyl‐CoA) availability was improved by overexpressing acetyl‐CoA synthetase, leading to α‐KG production up to 28.54 g/L. Finally, the engineered strain E. coli W3110Δ4‐P(H)CAI(H)A was able to produce 32.20 g/L α‐KG in a 5‐L fed‐batch bioreactor. This strategy described here paves the way to the development of an efficient pathway for microbial production of α‐KG.
Simulated oxygen and glucose gradients as a prerequisite for predicting industrial scale performance a priori
Authors: Kuschel Maike , Takors Ralf
Published: June 2020

Transferring bioprocesses from lab to industrial scale without loss of performance is key for the successful implementation of novel production approaches. Because mixing and mass transfer is usually hampered in large scale, cells experience heterogeneities eventually causing deteriorated yields, that is, reduced titers, productivities, and sugar‐to‐product conversions. Accordingly, reliable and easy‐to‐implement tools for a priori prediction of large‐scale performance based on dry and wet‐lab tests are heavily needed. This study makes use of computational fluid dynamic simulations of a multiphase multi‐impeller stirred tank in pilot scale. So‐called lifelines, records of 120,000 Corynebacterium glutamicum cells experiencing fluctuating environmental conditions, were identified and used to properly design wet‐lab scale‐down (SD) devices. Physical parameters such as power input, gas hold up, , and mixing time showed good agreement with experimental measurements. Analyzing the late fed‐batch cultivation revealed that the complex double gradient of glucose and oxygen can be translated into a wet‐lab SD setup with only few compartments. Most remarkably, the comparison of different mesh sizes outlined that even the coarsest approach with a mesh density of was sufficient to properly predict physical and biological readouts. Accordingly, the approach offers the potential for the thorough analysis of realistic industrial case scenarios.
Functional and cognitive capacity differ in dystonic motor subtypes when compared to choreatic and hypokinetic‐rigid motor subtypes in Huntington's disease
Authors: Achenbach Jannis , von Hein Sarah Maria , Saft Carsten
Published: June 2020

Background

Motor phenotypes in Huntington's disease vary manifold. Phenotype classification is essential to adapt treatment. The aim of this study was to classify a dystonic subtype closer.

Methods

A total of 7,512 manifest ENROLL‐HD participants were subdivided into mainly choreatic (N = 606), dystonic (N = 402), and hypokinetic‐rigid (N = 369) subjects. Cognitive (verbal fluency, symbol digit, stroop color, trail making, Mini‐Mental State Examination), functional (total functional capacity, Independence Scale), and psychiatric (problem behaviors assessment, Hospital Anxiety and Depression Scale) performance was evaluated at baseline visit.

Results

Symptoms onset for dystonic were similar to hypokinetic‐rigid, but earlier compared to choreatic subjects (p < .001). Cognition was better in both groups compared to hypokinetic rigid (all p < .001). Functionality differed between all groups (all p < .001). Differences remained (all p < .001) after controlling for CAP score, CAG, age, disease duration, and education.

Conclusions

Motor subtypes differ in functional and cognitive capacities but less in psychiatric. We identified better cognitive and functional capacities and similar onsets in predominant dystonic compared to hypokinetic‐rigid patients.
An educational software suite for comprehensive learning of Computer‐Aided Engineering
Authors: Otarawanna Somboon , Ngiamsoongnirn Kiattisak , Malatip Atipong , Eiamaram Patipath , Phongthanapanich Sutthisak , Juntasaro Ekachai , Kowitwarangkul Pruet , Intarakumthornchai Thanasan , Boonmalert Parinya , Bhothikhun Chatthanon
Published: June 2020

The learning of Computer‐Aided Engineering (CAE) usually involves practical computer lessons on the use of CAE software. Software packages suitable for learning should be user‐friendly and accessible, with an affordable cost. However, the CAE freeware and proprietary software available in the market are relatively difficult to use for novices. Furthermore, most proprietary software packages are very costly, hindering the access of learners. In this study, a CAE freeware suite, CAE 3D, has been developed for supporting the learning of CAE technology. CAE 3D contains four modules for analyzing 3D solid mechanics, heat transfer, and mechanical vibration problems by the finite element method, and 3D fluid dynamics problems by the finite volume method. Unlike most CAE freeware applications, the user interface of CAE 3D is a purely graphical user interface instead of containing some text‐based user interfaces. As CAE 3D is user‐friendly and capable of analyzing various types of engineering problems, it is suitable for use as a learning tool of CAE. For example, learners can adjust parameters, such as geometry, material properties, and/or boundary conditions, to explore the effects of a given setting on the CAE results. This article explains the CAE learning process, development of CAE 3D software and application of CAE 3D to university classrooms. The classroom feedback indicates that the students were highly satisfied with CAE 3D in terms of the usability, the reliability of results and the contribution toward learning. These responses support the applicability of CAE 3D in CAE education.
Antiproliferative Effect and Cell Cycle Alterations Induced bySalvia officinalisEssential Oil and Its Three Main Components in Human Colon Cancer Cell Lines
Authors: Luca Tonia , Napoli Edoardo , Privitera Giovanna , Musso Nicolò , Ruberto Giuseppe , Castorina Sergio
Published: June 2020

Colon cancer is one of the most common human malignancies, and chemotherapy cannot yet prevent recurrence in all patients. Essential oils are phytocomplexes with antiproliferative properties. In this study, we elucidated the antiproliferative properties and the effect on cell cycle progression of SicilianSalvia officinalisessential oil and its three main compounds,α‐thujone, 1,8‐cineole (eucalyptol) and camphor, on three human colon cancer cell lines. The essential oil was obtained by hydrodistillation and analyzed by gas chromatography. Cell proliferation was evaluated by MTT assay, and the cell cycle distribution was determined by flow cytometry. Thirty‐four compounds were identified in the tested essential oil. Growth inhibition was observed after 72 h, with an impact on cell cycle progression and no effect on the viability of normal colonic epithelial cells. The study shows thatS. officinalisessential oil and its three main components have anin vitroantiproliferative effect on colon cancer cells.
Expanding the Genetic Code for Neuronal Studies
Authors: Nikić‐Spiegel Ivana
Published: June 2020

Genetic code expansion is one of the most powerful technologies in protein engineering. In addition to the 20 canonical amino acids, the expanded genetic code is supplemented by unnatural amino acids, which have artificial side chains that can be introduced into target proteins in vitro and in vivo. A wide range of chemical groups have been incorporated co‐translationally into proteins in single cells and multicellular organisms by using genetic code expansion. Incorporated unnatural amino acids have been used for novel structure‐function relationship studies, bioorthogonal labelling of proteins in cellulo for microscopy and in vivo for tissue‐specific proteomics, the introduction of post‐translational modifications and optical control of protein function, to name a few examples. In this Minireview, the development of genetic code expansion technology is briefly introduced, then its applications in neurobiology are discussed, with a focus on studies using mammalian cells and mice as model organisms.
Design and Evaluation of Artificial Hybrid Photoredox Biocatalysts
Authors: Schwochert Timothy D. , Cruz Cole L. , Watters John W. , Reynolds Evan W. , Nicewicz David A. , Brustad Eric M.
Published: June 2020

A pair of 9‐mesityl‐10‐phenyl acridinium (Mes−Acr+) photoredox catalysts were synthesized with an iodoacetamide handle for cysteine bioconjugation. Covalently tethering of the synthetic Mes−Acr+ cofactors with a small panel of thermostable protein scaffolds resulted in 12 new artificial enzymes. The unique chemical and structural environment of the protein hosts had a measurable effect on the photophysical properties and photocatalytic activity of the cofactors. The constructed Mes−Acr+ hybrid enzymes were found to be active photoinduced electron‐transfer catalysts, controllably oxidizing a variety of aryl sulfides when irradiated with visible light, and possessed activities that correlated with the photophysical characterization data. Their catalytic performance was found to depend on multiple factors including the Mes−Acr+ cofactor, the protein scaffold, the location of cofactor immobilization, and the substrate. This work provides a framework toward adapting synthetic photoredox catalysts into artificial cofactors and includes important considerations for future bioengineering efforts.
Predictors of short‐ and long‐term outcomes of patients undergoing transcatheter mitral valve edge‐to‐edge repair
Authors: Geyer Martin , Keller Karsten , Born Sonja , Bachmann Kevin , Tamm Alexander R. , Ruf Tobias F. , Kreidel Felix , Hahad Omar , Ahoopai Majid , Hobohm Lukas , Beiras‐Fernandez Andres , Kornberger Angela , Schulz Eberhard , Münzel Thomas , von Bardeleben Ralph Stephan
Published: June 2020

Objectives

Transcatheter mitral valve repair (TMVR) by edge‐to‐edge therapy is an established treatment for severe mitral valve regurgitation (MR).

Background

Symptomatic and prognostic benefit in functional MR has been shown recently; nevertheless, data on long‐term outcomes are sparse.

Methods and results

We analyzed survival of patients treated with isolated edge‐to‐edge repair from June 2010 to March 2018 (primarily combined edge‐to‐edge repair with other mitral valve interventions was excluded) in a retrospective monocentric study. Overall, 627 consecutive patients (47.0% females, 78.6 years in mean) were included. Leading etiology was functional MR (57.4%). Follow‐up regarding survival was available in 97.0%. While 97.6% were discharged alive, 75.7% were alive after a 1‐year, 54.5% after 3‐year, 37.6% after 5‐year and 21.7% after 7‐year follow‐up. Higher logistic Euroscores and comorbidities such as COPD and renal insufficiency were associated with higher in‐hospital and 1‐year mortality. Importantly, in‐hospital survival increased over the years.

Conclusions

With the present study we established high survival rates at discharge and after 1 year of patients treated with TMVR. This goes along with high implantation numbers, increased interventional experience and a better in‐hospital survival over the years. Long‐term mortality in turn was substantially influenced by comorbidities.
Enzymatic Synthesis of Poly(caprolactone): A QM/MM Study
Authors: Figueiredo Pedro R. , Almeida Beatriz C. , Dourado Daniel F. A. R. , Sousa Andreia F. , Silvestre Armando J. D. , Carvalho Alexandra T. P.
Published: June 2020

Our reliance on synthetic polymers (plastics) is causing immeasurable damage to the environment. Better alternatives are actively being sought‐after, such as biodegradable polyesters obtained by enzymatic synthesis. Here we compare in detail the catalytic mechanisms for poly(caprolactone) synthesis by the enzymes Archaeoglobus fulgidus carboxylesterase (AfEST) and Candida antarctica lipase B (CalB) using Quantum Mechanics/Molecular Mechanics Molecular Dynamics simulations. In the ring‐opening step (rate‐limiting) the significantly higher free energy barrier found for AfEST is a consequence of the larger distance between the histidine‐aspartate pair and the oxygen of the lactone, and a shorter distance to the serine nucleophile, favouring the reverse reaction towards the initial reactants. Our results give important insights towards the design of enzymatic variants which combine high activity and high thermostability in the synthesis of poly(caprolactone), which due to its bioresorbability is of great importance for biomedical applications.
Electrochemical and Spectroscopic Study of EuIII and EuII Coordination in the 1‐Ethyl‐3‐methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid
Authors: Bengio David , Dumas Thomas , Arpigny Sylvie , Husar Richard , Mendes Eric , Solari Pier Lorenzo , Schlegel Michel L. , Schlegel Daniel , Pellet‐Rostaing Stéphane , Moisy Philippe
Published: June 2020

Separation processes based on room temperature ionic liquids (RTIL) and electrochemical refining are promising strategies for the recovery of lanthanides from primary ores and electronic waste. However, they require the speciation of dissolved elements to be known with accuracy. In the present study, Eu coordination and EuIII/EuII electrochemical behavior as a function of water content in 1‐ethyl‐3‐methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIm][NTf2]) was investigated using UV–visible spectrophotometry, time‐resolved laser fluorescence spectroscopy, electrochemistry, and X‐ray absorption spectroscopy. In situ measurements were performed in spectroelectrochemical cells. Under anhydrous conditions, EuIII and EuII were complexed by NTf2, forming Eu−O and Eu−(N,O) bonds with the anion sulfoxide function and N atoms, respectively. This complexation resulted in a greater stability of EuII, and in quasi‐reversible oxidation–reduction with an E0’ potential of 0.18 V versus the ferrocenium/ferrocene (Fc+/Fc) couple. Upon increasing water content, progressive incorporation of water in the EuIII coordination sphere occurred. This led to reversible oxidation–reduction reactions, but also to a decrease in stability of the +II oxidation state (E0’=−0.45 V vs. Fc+/Fc in RTIL containing 1300 mm water).
Dipolar Nanocars Based on a Porphyrin Backbone
Authors: Nishino Toshio , Martin Colin J. , Takeuchi Hiroki , Lim Florence , Yasuhara Kazuma , Gisbert Yohan , Abid Seifallah , Saffon‐Merceron Nathalie , Kammerer Claire , Rapenne Gwénaël
Published: June 2020

The design and synthesis of a new family of nanocars is reported. To control their motion, we integrated a dipole which can be tuned thanks to strategic donor and acceptor substituents at the 5‐ and 15‐positions of the porphyrin backbone. The two other meso positions are substituted with ethynyltriptycene moieties which are known to act as wheels. Full characterization of nine nanocars is presented as well as the electrochemistry of these push‐pull molecules. DFT calculations allowed us to evaluate the magnitude of the dipoles and to understand the electrochemical behavior and how it is affected by the electron donating and accepting groups present. An X‐ray crystal structure of one nanocar has also been obtained.
The Relevance of Size Matching in Self‐assembly: Impact on Regio‐ and Chemoselective Cocrystallizations
Authors: Lin Jing‐Xiang , Daolio Andrea , Scilabra Patrick , Terraneo Giancarlo , Li Hongfan , Resnati Giuseppe , Cao Rong
Published: June 2020

Decamethonium diiodide is reported to perform the chemo‐ and regioselective encapsulation of para‐dihalobenzenes through the competitive formation of halogen‐bonded cocrystals starting from solutions that also contain ortho and meta isomers. Selective caging in the solid occurs even when an excess ortho or meta isomers, or even a mixture of them, is present in the solution. A prime matching between the size and shape of the dication and the formed dianions plays a key role in enabling the selective self‐assembly, as proven by successful encapsulation of halogen‐bond donors as weak as 1,4‐dichlorobenzene and by the results of cocrystallization trials involving mismatching tectons. Encapsulated para‐dihalobenzenes guest molecules can be removed quantitatively by heating the cocrystals under reduced pressure and be recovered as pure materials. The residual decamethonium diiodide can be recycled with no reduction in selectivity.
Hydrogen‐Atom Tunneling in Metaphosphorous Acid
Authors: Qian Weiyu , Chu Xianxu , Song Chao , Wu Zhuang , Jiao Mengqi , Liu Hanwen , Zou Bin , Rauhut Guntram , Tew David P. , Wang Lina , Zeng Xiaoqing
Published: June 2020

Invited for the cover of this issue is X. Zeng and co‐workers at Soochow University, University of Stuttgart, and Max‐Planck Institute for Solid State Research. The image depicts the fast tunneling transformation of the highly elusive metaphosphorous acid (HOPO). Read the full text of the article at 10.1002/chem.202000844.
Preparation and Thermal Properties of Shape‐stabilized Paraffin/ NPGDMA/BN Composite for Phase Change Energy Storage
Authors: Li Xuefeng , Chen Lingying , Han Weifang , Ge Chunhua , Guan Hongyu , Zhang Rui , Zhang Xiangdong
Published: June 2020

Summary of main observation and conclusion

Paraffin, as an excellent phase change material (PCM), is limited by the leakage problem and low thermal conductivity. In this research, a novel paraffin/neopentyl glycol dimethacrylate/boron nitride (paraffin/NPGDMA/BN) composite PCM was successfully prepared via a physical mixing process. NPGDMA in paraffin/NPGDMA/BN composite PCM was cured by UV light under the action of photo initiator, which can improve the shape stability to avoid the leakage of paraffin in the process of phase change. By comparing the leakage rate, latent heat, and thermal conductivity, the optimal mass ratio of paraffin and NPGDMA was selected to be 7 : 3. It was showed that the presence of 5 wt% BN led to increasing in thermal conductivity by up to 59%. The microstructure of the composite PCMs was characterized by SEM, FTIR, and XRD. The composite PCMs can be processed into a variety of shapes by using molds. The paraffin/NPGDMA/BN composite PCM exhibited a significantly improved shape stability and large phase change enthalpy of 123.0 J/g. The leakage rate of paraffin/NPGDMA/BN was much improved after being soaked with petroleum ether.
Reducing Energy Loss and Morphology Optimization Manipulated by Molecular Geometry Engineering for Hetero‐junction Organic Solar Cells
Authors: Xu Guodong , Rao Huan , Liao Xunfan , Zhang Youdi , Wang Yuming , Xing Zhi , Hu Ting , Tan Licheng , Chen Lie , Chen Yiwang
Published: June 2020

Summary of main observation and conclusion

Molecular geometry engineering is an effective strategy to control the micromorphology and molecular energy level in organic photovoltaics (OPVs). Two novel copolymers based on alkylsilyl‐ and chloride‐functionalized benzodithiophene (BDT) were designed and synthesized for wide bandgap copolymer donor materials in OPVs. It was found that the two copolymers exhibited distinctly different properties in active layer when blended with fullerene‐free acceptor IT‐4F. The chloride‐functionalized copolymer PBDTCl‐TZ with deeper molecular energy level and better coplanar structure induced more ordered aggregation in blend film. Thus, the device based on PBDTCl‐TZ exhibits better energy alignment with IT‐4F and smaller radiative recombination. Furthermore, the non‐radiative recombination of PBDTCl‐TZ:IT‐4F based device is about 45 mV lower than the PBDTSi‐TZ:IT‐4F based device, contributing to a lower energy loss (Eloss), and a higher open‐circut voltage (VOC). As a result, the devices based on the blend of PBDTCl‐TZ:IT‐4F exhibit a high power conversion efficiency (PCE) of up to 12.2% with a high VOC of 0.837 V, higher than that of PBDTSi‐TZ:IT‐4F, of which the PCE is 11.2% with a VOC of 0.781 V.
Automated classification of cancer from fine needle aspiration cytological image use neural networks: A meta‐analysis
Authors: Huang Jian , Wang Dongcun , Da Jiping
Published: June 2020

Background

The role of retrospective analysis has been evolved greatly in cancer research. We undertook this meta‐analysis to evaluate the diagnostic value of Neural networks (NNs) in Fine needle aspiration cytological (FNAC) image of cancer.

Methods

We systematically retrieved 396 literatures on cytodiagnosis of NNs from Cochrane, PubMed, and EMBASE. After screening, only six studies were included in meta‐analysis finally. Data was comprehensively analyzed by RevMan and meta‐Disc software.

Results

A total of 1165 cases were extracted from six articles. Among them, 593 cases were in the abnormal/positive group and 572 cases in the normal/negative group. The pooled estimates for the NNs cytology were Area under ROC curve (AUC): 0.99, Sensitivity: 0.85 (95% CI:0.82‐0.88), Specificity: 0.96 (95% CI:0.94‐0.97), Positive Likelihood Ratio (LR):18.43 (95% CI:6.83‐49.74), Negative Likelihood Ratio (LR): 0.06 (95% CI:0.001‐0.58), and Diagnostic odds ratio (DOR): 343.21 (34.41‐3422.77).

Conclusions

This meta‐analysis confirms that NNs Automated Classification algorithm can facilitate to some extent the FNCA diagnosis of cancer.
Carbon isotopic characterization of prednisolone and prednisone pharmaceutical formulations: Implications in antidoping analysis
Authors: Iannella Loredana , Botrè Francesco , Colamonici Cristiana , Curcio Davide , Ciccarelli Chiara , Mazzarino Monica , de la Torre Xavier
Published: June 2020

Twenty‐two pharmaceutical formulations containing prednisolone or prednisone commercially available in Italy, Belgium, Spain, Brazil, and India were analyzed through a specific gas chromatography combustion isotope ratio mass spectrometry (GC‐C‐IRMS) method. All of them showed typical non‐endogenous δ13C values, except for the Belgian nasal spray, Sofrasolone®, with a less depleted 13C content (−17.84 ± 0.18‰). Observational studies were performed on two volunteers in therapy with Sofrasolone® to confirm the applicability of the method and to suggest adequate interpretation criteria also in the case of drugs with less negative δ13C values. Urine samples were collected before, during, and within the 36 hours after the administration of the spray. Both δ13C values and urinary concentrations of prednisolone and prednisone were evaluated. All samples were subjected to an adequate pre‐treatment (enzymatic hydrolysis, liquid/liquid extraction, and two sequential HPLC steps) before injection to the GC‐C‐IRMS instrument, according to the method recently developed and validated in our laboratory. Pregnanediol (PD), tetrahydro‐11‐deoxycortisol (THS), and pregnanetriol (PT) were selected as endogenous reference compounds (ERC). The excretion profile was estimated through liquid chromatography coupled to tandem mass spectrometry (LC–MS/MS) method used routinely for the quali‐quantitative detection of glucocorticoids. δ13C values and urinary levels of prednisolone and prednisone were also determined after the intake of one single vial of Sintredius®, a prednisolone oral formulation with a conventional more negative δ13C value (−29.28 ± 0.25‰). Finally, the potential masking effect that combined therapy with Sofrasolone® and Sintredius® could induce on the IRMS findings was investigated.
Glucagon‐like peptide‐1 receptor agonists (GLP‐1 RAs) for the management of nonalcoholic fatty liver disease (NAFLD): A systematic review
Authors: Lv Xiaodan , Dong Yongqiang , Hu Lingling , Lu Feiyu , Zhou Changyu , Qin Shaoyou
Published: June 2020

There are no licensed drugs for nonalcoholic fatty liver disease (NAFLD), and there is a lack of consensus on the best outcome measures for controlled trials. This systematic review aimed to evaluate the efficacy of GLP‐1 RAs in the management of NAFLD, the degree of heterogeneity in trial design and the robustness of conclusions drawn from these clinical trials. We searched publication databases and clinical trial registries through 2 November 2019 for clinical trials with NAFLD. We evaluated improvements in histological findings, noninvasive markers of hepatic steatosis, inflammation, and fibrosis, insulin resistance and anthropometric measures. Our final analysis included 24 clinical trials, comprising 6313 participants with a mean duration of 37 weeks. Four clinical trials, including RCT (n = 1), single‐arm studies (n = 2) and case series studies (n = 1), used biopsy‐confirmed liver histological change as their end‐points. The remaining studies (n = 20) used surrogate end‐points. GLP‐1 RAs were effective for the improvement in hepatic inflammation, hepatic steatosis and fibrosis. More importantly, GLP‐1 RAs showed promise in improving the histological features of NASH. In addition, 8 ongoing trials were identified. In this systematic review of published and ongoing clinical trials of the efficacy of GLP‐1RAs for NAFLD, we found that GLP‐1 RAs are effective for hepatic steatosis and inflammation, with the potential to reverse fibrosis. Further prospective studies of sufficient duration using histological end‐points are needed to fully assess the efficacy of GLP‐1 RAs in the management of NAFLD.
Detection of viral SARS‐CoV‐2 genomes and histopathological changes in endomyocardial biopsies
Authors: Escher Felicitas , Pietsch Heiko , Aleshcheva Ganna , Bock Thomas , Baumeier Christian , Elsaesser Albrecht , Wenzel Philip , Hamm Christian , Westenfeld Ralph , Schultheiss Maximilian , Gross Ulrich , Morawietz Lars , Schultheiss Heinz‐Peter
Published: June 2020

Aims

Since December 2019, the novel coronavirus SARS‐CoV‐2 has spread rapidly throughout China and keeps the world in suspense. Cardiovascular complications with myocarditis and embolism due to COVID‐19 have been reported. SARS‐CoV‐2 genome detection in the heart muscle has not been demonstrated so far, and the underlying pathophysiological mechanisms remain to be investigated.

Methods and results

Endomyocardial biopsies (EMBs) of 104 patients (mean age: 57.90 ± 16.37 years; left ventricular ejection fraction: 33.7 ± 14.6%, sex: n = 79 male/25 female) with suspected myocarditis or unexplained heart failure were analysed. EMB analysis included histology, immunohistochemistry, and detection of SARS‐CoV‐2 genomes by real‐time reverse transcription polymerase chain reaction in the IKDT Berlin, Germany. Among 104 EMBs investigated, five were confirmed with SARS‐CoV‐2 infected by reverse real‐time transcriptase polymerase chain reaction. We describe patients of different history of symptoms and time duration. Additionally, we investigated histopathological changes in myocardial tissue showing that the inflammatory process in EMBs seemed to permeate vascular wall leading to small arterial obliteration and damage.

Conclusions

This is the first report that established the evidence of SARS‐CoV‐2 genomes detection in EMBs. In these patients, myocardial injury ischaemia may play a role, which could explain the ubiquitous troponin increases. EMB‐based identification of the cause of myocardial injury may contribute to explain the different evolution of complicated SARS‐CoV‐2‐infection and to design future specific and personalized treatment strategies.