bluuebunny/crossref_metadata_2025 huggingface dataset:
DNA‐Coated Upconversion Nanoparticles for Sensitive Nucleic Acid FRET Biosensing
Authors: Francés‐Soriano Laura , Estebanez Nestor , Pérez‐Prieto Julia , Hildebrandt Niko
Published: May 2022

Despite the significant advancements of developing upconversion nanoparticles (UCNPs) for high performance biosensing and bioimaging, the development of DNA‐functionalized UCNPs with thin coatings, efficient surface passivation, and fully functional DNAs for hybridization sensing in biological media remains extremely challenging. Here, a straightforward concept of labeling DNA to a thin polysulfonate polymer layer on UCNPs is presented. Both UCNPs and DNA preserve their full functionality as demonstrated by Förster resonance energy transfer (FRET) hybridization assays with a Cy3‐conjugated complementary DNA. The important bioanalytical benefits of the UCNP‐DNA nanohybrids are demonstrated by their implementation into rapid and wash‐free microRNA hybridization FRET assays. Using a simple fiber‐coupled USB‐spectrometer and 980 nm diode laser excitation in a 96‐well microplate, ratiometric FRET from UCNP‐to‐Cy3 can quantify miR20a in a 0.01–10 × 10−9 m concentration range with a detection limit of 30 × 10−12 m (4.5 fmol of miR20a), which is more than 20‐fold lower compared to quantum dot‐based FRET assays. The functional thin‐coating DNA‐UCNP nanohybrids have a strong potential for translating UCNPs into advanced DNA‐based biosensing, bioimaging, and high‐throughput and point‐of‐care clinical diagnostics.
Fluid Mechanics Inspired Sequential Blade‐Coating for High‐Performance Large‐Area Organic Solar Modules
Authors: Zhang Ben , Yang Fu , Chen Shanshan , Chen Haiyang , Zeng Guang , Shen Yunxiu , Li Yaowen , Li Yongfang
Published: May 2022

Despite rapid advances in the field of organic solar cells (OSCs), high‐performance large‐scale OSC modules are limited. In this study, it is found that the non‐Newtonian fluid feature of conjugated polymer primarily causes the wedge‐shaped mass (donor and/or acceptor component)/phase distribution of blends in large‐scale blade coating, which results in the lower module efficiency. To address the critical issue in printing manufacturing, a reversible and sequential layer‐by‐layer (RS‐LBL) deposition method with sequential twice forward/reverse blade‐coating of polymer donor and forward blade‐coating of Y6 acceptor, is developed for precisely controlling fluid mechanics of PM6:Y6 active layer. Through using the RS‐LBL strategy, uniform morphology and favorable phase separation and crystallization are obtained in the 10 × 10 cm2 active layer. As a result, the RS‐LBL‐based OSCs show excellent operational stability, and an outstanding PCE of 13.47% is achieved with significantly suppressed charge recombination losses in the 36 cm2 large‐area OSC module, which represents the highest efficiency of binary solar modules with the area over 30 cm2. This study provides a feasible route for the next generation of high‐performance large‐area OSCs and OSC modules.
Spherical Triboelectric Nanogenerator Based on Eccentric Structure for Omnidirectional Low Frequency Water Wave Energy Harvesting
Authors: Qu Zhigang , Huang Mingkun , Chen Chuanxian , An Yang , Liu Hongze , Zhang Quanpeng , Wang Xiaopeng , Liu Ying , Yin Wuliang , Li Xingfei
Published: May 2022

Ocean wave energy is a promising green energy source, but it is difficult to exploit on a large scale due to its low frequency and the random uncertainty of its direction. In this study, a spherical eccentric structured triboelectric nanogenerator (Se‐TENG) is designed to harvest omnidirectional low‐frequency water wave energy. Power management circuits (PMM) are designed to optimize the utilization of water wave energy at low frequencies for large‐scale conversion and storage. It is found that the output performance of the Se‐TENG device is influenced by the frequency of the water waves, with the best output performance at a water wave frequency of 2.0 Hz, given that the wave amplitude is 9 cm. It is verified that within the Se‐TENG, the parallel connections of eccentric structured triboelectric nanogenerators (E‐TENGs) are more conducive to energy storage and conversion. In addition, the Se‐TENG used in conjunction with an energy storage device is able to successfully power light‐emitting diodes (LEDs) and digital thermometers, demonstrating its ability to harvest low‐frequency water wave energy in random directions. The unique structure of the Se‐TENG offers an innovative and effective way of gathering blue energy on a large scale.
Template‐Electrodeposited Plasmonic Metasurfaces for High‐Sensitivity Biomolecular Detection
Authors: Li Guohua , Wu Mingxi , Ye Xiangyi , Zhou Jianhua , Cai Jingxuan
Published: May 2022

Biomolecular detection is crucially significant for the medical and healthcare industries. The plasmonic metasurface is one of the ideal sensors that can be utilized for biomolecular detection. However, how to realize the more cost‐effective fabrication of plasmonic metasurfaces has always been a research hotspot. Herein, one combines nanoimprint lithography, electrodeposition, and nanotransfer printing to fabricate the electrodeposition template with nanoscale resolution. Centimeter‐scale plasmonic metasurfaces with uniform hexagonal gold nanopillar arrays are successfully fabricated via utilizing the electrodeposition template within several minutes. The plasmonic metasurfaces exhibit comparable performance with other reported metasurfaces fabricated through conventional approaches in refractometric sensing and immunoglobulin G (IgG) biomolecular detection. The electrodeposition template can be reused more than ten times, and the performance of successive plasmonic metasurfaces fabricated using the same template is highly consistent. Moreover, the novel fabrication of flexible metasurfaces may also be of interest to many other practical applications such as structural color, surface‐enhanced Raman spectroscopy (SERS), and fluorescence enhancement.
A Bioinspired Sweat‐Drainable Janus Electrophysiological Electrode for Scientific Sports Training
Authors: Li Pengfei , Bao Yuan , Chen Boqian , Liu Xi , Yang Hui , Li Quantong , Chen Tongsheng , Fan Jianlin , Hu Chuan , Ling Yunzhi
Published: May 2022

Recent technological innovations in wearable electronics offer possibilities to perform real‐time monitoring of electrophysiological parameters, such as ECG, EMG, and EEG. To achieve accurate and long‐term electrophysiological measurement, great signs of progress have been made in the skin–electrode interfacial problems; nevertheless, the challenges related to sweat have not been fully resolved. Excessive sweat between human skin and the electrode usually fails to achieve a conformal and intact contact, and the nonconductive barriers will lead to a high skin–electrode impedance. Inspired by the structure of liquid directional movement in nature, a Janus gold nanowires/nitrocellulose (AuNWs/NC) electrophysiological electrode with conical micropores is developed to solve interfacial problems caused by sweat. The Janus AuNWs/NC electrodes spontaneously wick sweat from the AuNW side to the NC side, thus keeping intimate skin–electrode contact and low interfacial impedance to ensure a high‐fidelity signal during the long‐term monitoring. By integrating Janus AuNWs/NC electrode with circuit modules and advanced algorithms, a real‐time visualization system is developed for muscle activity intensity. This system is applied to precisely evaluate the muscle controllability and assess the muscle balance ability, which presents great potentials for health monitoring, sports training, and the areas of human–computer interaction.
Orthorhombic Non‐Perovskite CsPbI3 Microwires for Stable High‐Resolution X‐Ray Detectors
Authors: Kundu Soumya , Richtsmeier Devon , Hart Alexander , Yeddu Vishal , Song Zihao , Niu Guangda , Thrithamarassery Gangadharan Deepak , Dennis Emma , Tang Jiang , Voznyy Oleksandr , Bazalova‐Carter Magdalena , Saidaminov Makhsud I.
Published: May 2022

X‐ray detectors are used widely, but they suffer from short operational stability and insufficient absorptivity of X‐ray photons. Here, a strategy for room‐temperature, solution‐grown δ‐CsPbI3 monocrystalline microwires exhibiting one of the highest linear X‐ray absorption coefficients among known semiconductors is reported. In a metal–semiconductor–metal architecture, δ‐CsPbI3 demonstrates one of the lowest detectable X‐ray dose rates at 33.3 nGyair s−1, enabled by its exceptionally low dark current density of 12 pA mm−2. The detector remains stable following a continuous operation for a total accumulated dose of 1.44 × 106 Gyair, which is equivalent to 720 million chest X‐ray scans. The 1D crystalline nature of δ‐CsPbI3 enables a high X‐ray imaging resolution of 12.4 line pairs per millimeter (lp mm−1).
Standards and regulatory cooperation in regional trade agreements: What the effects on trade?
Authors: Santeramo Fabio Gaetano , Lamonaca Emilia
Published: May 2022

The agenda of trade negotiation in the agri‐food sector is characterized by an exponential increase of sanitary and phytosanitary (SPS) measures and of Regional Trade Agreements (RTAs). Their joint effect on trade is puzzling and still an open empirical question. Once assessed the trade effect of standards provided in SPS measures, the study evaluates how regulatory cooperation and commitments beyond World Trade Organization requirements affect trade between signatories of RTAs. Trade between signatories seems obstructed by non‐discriminatory (multilateral) SPS measures. However, SPS‐specific commitments negotiated in joint SPS committees within RTAs tend to create conditions to meet standards, contributing to boost trade.
Host–Guest Complexation‐Induced Aggregation Based on Pyrene‐Modified Cyclodextrins for Improved Electronic Circular Dichroism and Circularly Polarized Luminescence
Authors: Tu Chenlin , Wu Wanhua , Liang Wenting , Zhang Dongjing , Xu Wei , Wan Shigang , Lu Wei , Yang Cheng
Published: May 2022

Several γ‐cyclodextrin (CD) derivatives mono‐ or di‐substituted by pyrenes at the primary rim of the CD were demonstrated to aggregate into nano‐strips in aqueous solutions, with the pyrene moieties interpenetrating into γ‐CD cavities. The hydrophobic complexation‐induced aggregation provides a rigid chiral environment for the pyrenes and leads to significant electronic circular dichroism (ECD) and circularly polarized luminescence (CPL) activities, giving unprecedently highgabsandglumvalues up to 4.3×10−2and 5.3×10−2, respectively. The aggregates lead to excimer emission with high quantum yields and showBCPLandBiCPLup to 338. 6 M−1 cm−1and 169.3 M−1 cm−1, respectively.
Development of neurochemical labeling in the intermediolateral nucleus of cats' spinal cord
Authors: Veshchitskii Aleksandr A. , Kirik Olga V. , Korzhevskii Dmitriy E. , Merkulyeva Natalia
Published: May 2022

NeuN is a neuron‐specific nuclear protein expressed in most mature neuronal cell types, with some exceptions. These exceptions are known mainly for the brain but not for the spinal cord or the spinal visceral networks for which only scarce information is available. One of the most defined visceral structures in the spinal cord is the sympathetic intermediolateral nucleus located within the thoracolumbar segments. We investigated the NeuN staining in the intermediolateral nucleus and compared it with the staining for two neurochemical markers of visceral neurons: nitric oxide synthase and calcium‐binding protein calretinin in adult cats and in kittens aged 0, 14, and 35 days. A clear NeuN‐immunonegativity was obtained for intermediolateral neurons labeled for nitric oxide synthase for both adult cats and kittens. In contrast, a matched immunopositivity for the NeuN and calretinin was obtained, showing an age‐dependent degree of this colocalization, which was high in newborn kittens, decreased on postnatal 14 and 35 days and persisted at a moderate level up to adulthood. Perhaps our data displayed a heterogeneity of the intermediolateral neurons.
New 1H‐indole‐2,3‐dione 3‐thiosemicarbazones with 3‐sulfamoylphenyl moiety as selective carbonic anhydrase inhibitors
Authors: Eraslan‐Elma Pınar , Akdemir Atilla , Berrino Emanuela , Bozdağ Murat , Supuran Claudiu T. , Karalı Nilgün
Published: May 2022

1‐Methyl/ethyl/benzyl‐5‐(un)substituted 1H‐indole‐2,3‐diones (2, 3, and 4) were synthesized by reaction of 5‐(un)substituted 1H‐indole‐2,3‐diones (1) with methyl iodide, ethyl chloride, and benzyl bromide. (3‐Sulfamoylphenyl)isothiocyanate (6) was obtained by the treatment of 3‐aminobenzenesulfonamide (5) with thiophosgene. Compound 6 was reacted with hydrazine to yield 4‐(3‐sulfamoylphenyl)thiosemicarbazide (7). Novel 1‐(un)substituted/methyl/ethyl/benzyl‐5‐(un)substituted 1H‐indole‐2,3‐dione 3‐[4‐(3‐sulfamoylphenyl)thiosemicarbazone] derivatives (8−11) were prepared by condensation of 7 and 1−4. The structures of the synthesized compounds were confirmed by elemental analysis and spectral data. Inhibition of the widely distributed cytosolic off‐targets human carbonic anhydrases (hCAs) I and II, and two tumor‐associated membrane‐bound isoforms (hCAs IX and XII), by 8−11 was investigated. The hCA II inhibitory effects of all tested compounds were in the subnanomolar to low nanomolar levels (Ki = 0.32−83.3 nM), and generally high selectivity for hCA II isoenzyme over hCA I, IX, and XII isoenzymes was observed. The strongest inhibitors of hCA II, 1‐benzyl‐5‐(trifluoromethoxy)‐substituted 11c (Ki = 0.32 nM) and 1‐ethyl‐5‐chloro‐substituted 10e (Ki = 0.35 nM), were docked within the enzyme active site. Molecular modeling studies with the most effective hCA IX and XII inhibitors were also carried out.
Asymmetric Flow Reactions Catalyzed by Immobilized Diphenylprolinol Alkyl Ether: Michael Reaction and Domino Reactions
Authors: Hayashi Yujiro , Hattori Shusuke , Koshino Seitaro
Published: May 2022

Flow reactions using an immobilized diphenylprolinol alkyl ether catalyst 2 were investigated in three reactions of α,β‐unsaturated aldehydes and nitroalkanes such as nitromethane 3, nitroethanol 10, and nitroalkane 11, bearing two carbonyl groups. Whereas reactions using the corresponding monomer catalyst diphenylprolinol silyl ether 1 were slow, fast reactions were found with the immobilized polymer catalyst 2 in a batch system, and the latter was then applied to a flow system. In the Michael reaction of nitromethane 3, the polymer catalyst showed high reactivity in the initial 30 h and then decreased gradually. Good overall yield (72%) and turnover number (TON, 495) were obtained for a 60 h flow reaction, and the enantioselectivity of the product was excellent throughout. The TONs of domino reactions of nitroethanol 10 and nitroalkane 11, with two carbonyl groups, were 48 and 81, respectively.
Glyphosate and aminomethylphosphonic acid in human hair quantified by an LC‐MS/MS method
Authors: Alvarez Jean‐Claude , Etting Isabelle , Larabi Islam Amine
Published: May 2022

An LC‐MS/MS method for hair testing of glyphosate and aminomethylphosphonic acid (AMPA), its main biodegradation product, has been developed. After decontamination, 50 mg of hair was ground and sonicated in water for 2 h. The method was fully validated in the 5–500 pg/mg range for glyphosate and 10–500 pg/mg for AMPA, and the limits of detection were 2 and 5 pg/mg, respectively. Matrix effect for glyphosate and AMPA was compensated by an isotope‐labeled internal standard. Hair samples from four farmers who regularly used glyphosate and one farmer who used glyphosate but not his wife and 14 hair samples from nonoccupationally exposed subjects were tested. Glyphosate was found in head hair of three farmers, with concentration in the range 14–188 pg/mg. The fourth was found negative but with hair colored in red. Glyphosate was detected in 10 of 14 hair samples from nonoccupationally exposed subjects at concentrations of 11.5 pg/mg or lower and only in one segment (0–3 cm) of the farmer's spouse (6 pg/mg). AMPA was detected in five subjects, above the limit of quantification only in two of three occupationally exposed subjects with positive glyphosate.

Further studies should be conducted to validate this potential new biomarker that could be useful for assessing long‐term exposure to glyphosate.
Real‐World longitudinal practice patterns in the use of PD‐1 and PD‐L1 inhibitors as First‐Line therapy in patients with Non‐Small cell lung cancer in the United States
Authors: Veluswamy Rajwanth , Hirsch Fred R. , Taioli Emanuela , Wisnivesky Juan , Strauss Ross , Harrough Douglas , Tang Boxiong , Barnes Gisoo
Published: May 2022

Background

Immune checkpoint inhibitors targeting the programmed cell death protein‐1 (PD‐1) and programmed death ligand‐1 (PD‐L1) axis (collectively referred to as PD[L]1i) have demonstrated clinical benefits in non‐small cell lung cancer (NSCLC) patients. The purpose of this United States‐based real‐world study is to examine changes in the landscape of first‐line therapies for NSCLC since the introduction of PD(L)1i.

Methods

Patients with NSCLC initiating first‐line treatment between May 1, 2017, and October 31, 2020, were identified in the IBM MarketScan® database. Patients were assigned groups based on first‐line therapy: PD(L)1i monotherapy, chemotherapy alone, PD(L)1i with chemotherapy, or targeted therapy for patients with actionable driver mutations.

Results

A total of 5431 patients with NSCLC starting first‐line treatment were identified: chemotherapy alone 2568 (47%), PD(L)1i with chemotherapy 1364 (25%), PD(L)1i monotherapy 790 (15%), and targeted therapy 709 (13%). The use of PD(L)1i monotherapy and targeted therapy remained consistent, while the percentage of patients receiving PD(L)1i with chemotherapy more than doubled. Over a third of patients in 2019 and 2020 received chemotherapy alone. Patients aged ≥65 years (odds ratio [OR]: 0.80; 95% confidence interval [CI]: 0.68–0.95), females (OR: 0.86; 95% CI: 0.74–0.98), and those with respiratory (OR: 0.82; 95% CI: 0.71–0.94) or kidney (OR: 0.56; 95% CI: 0.40–0.77) disease were less likely to have received PD(L)1i with chemotherapy than patients that received chemotherapy alone.

Conclusions

Since the approval of PD(L)1i for NSCLC, their use has significantly increased for first‐line treatment, especially when used in combination with chemotherapy. A significant proportion of patients received chemotherapy alone.
A Stereocontrolled Total Synthesis of Lipoxin B4 and its Biological Activity as a Pro‐Resolving Lipid Mediator of Neuroinflammation
Authors: Frank Lee C. , Brown Carla E. , Nielsen Alexander J. , Kim Changmo , Livne‐Bar Izhar , Parsons Philip J. , Boldron Christophe , Autelitano François , Weaver Donald F. , Sivak Jeremy M. , Reed Mark A.
Published: May 2022

Two stereocontrolled, efficient, and modular syntheses of eicosanoid lipoxin B4 (LXB4) are reported. One features a stereoselective reduction followed by an asymmetric epoxidation sequence to set the vicinal diol stereocentres. The dienyne was installed via a one‐pot Wittig olefination and base‐mediated epoxide ring opening cascade. The other approach installed the diol through an asymmetric dihydroxylation reaction followed by a Horner‐Wadsworth‐Emmons olefination to afford the common dienyne intermediate. Finally, a Sonogashira coupling and an alkyne hydrosilylation/proto‐desilylation protocol furnished LXB4 in 25 % overall yield in just 10 steps. For the first time, LXB4 has been fully characterized spectroscopically with its structure confirmed as previously reported. We have demonstrated that the synthesized LXB4 showed similar biological activity to commercial sources in a cellular neuroprotection model. This synthetic route can be employed to synthesize large quantities of LXB4, enable synthesis of new analogs, and chemical probes for receptor and pathway characterization.
Kinetics and isotherm studies for the adsorption of boron from water using titanium dioxide
Authors: Haddadi Ejaz , Gujar Jotiram G. , Sonawane Shriram S.
Published: May 2022

Boron is a necessary element for plants that are generally found in the ground and seawater, but it can also be poisonous in large doses. Contamination of water with boric acid or borate ions is a global concern. Due to the absence of the chemical charge that boron possesses, its removal is often difficult. To investigate boron's adsorption characteristics, kinetic, isotherm, and isothermal studies were performed. The adsorption of boron was shown to be a pH‐dependent mechanism, with the best results at around pH 9.0. About 47% of the boron from a solution of 50 mg L−1 was removed using 5 g titanium dioxide in 30 min. It was also demonstrated that boron adsorption kinetics increased with temperature, which is best described by the pseudo‐second‐order kinetic model (R2 > 0.98) and also fits well with Elovich and pseudo‐first‐order models (R2 > 0.94) at pH 9.0. Equilibrium was reached in about 40 min for all the samples. The film boundary layer diffusion step limits the rate. Experimental results correspond well to the Freundlich isotherm (R2 = 0.95–0.99). Langmuir and Temkin's isotherms also fitted reasonably well (R2 = 0.94–0.98). The Freundlich and Langmuir constants indicate favourable adsorption. The Gibbs free energy (ΔG) values increased negatively (from −11.47 to −15.63 kJ mol−1) with increasing temperature, signifying a feasible and spontaneous process. The enthalpy change (ΔH) value of about 30.35 kJ mol−1 indicated endothermic physical adsorption. The results indicate that titanium dioxide is an excellent and safe adsorbent for the removal of boron from water.
Oxygen uncoupling behaviour for ilmenite ore oxygen carrier generated from a calcination treatment mixed with natural manganese ore
Authors: Liu Xue , Li Lin , Zhou Zhihao , Sun Zhenkun , Duan Lunbo
Published: May 2022

Chemical looping with O2 uncoupling aims at using an oxygen carrier (OC) with O2 uncoupling behaviour to promote fuel conversion. Natural ilmenite ores have been considered highly promising OCs for chemical looping technology; however, they do not possess any O2 uncoupling behaviour. Mn‐modified ilmenite ores as OCs are capable of O2 uncoupling, while most of them are synthesized via complicated procedures by using costly chemicals. In this study, a strategy of calcination treatment on ilmenite ores mixed with manganese ores has been established to introduce Mn into the ilmenite OCs, endowing them with O2 uncoupling behaviour in a simple and low‐cost manner. The O2 uncoupling behaviour from Mn‐modified ilmenite ores is mainly due to the newly formed (Fe1−xMnx)2O3/(Fe1−xMnx)3O4 crystal phases generated during the calcination treatment, which also alleviate the thermodynamic limit of the Mn2O3‐Mn3O4 redox pair. As a result, the Mn‐modified ilmenite ore OCs can release O2 at high temperatures when decreasing the oxygen partial pressure. But more importantly, the reduced OCs can be restored in the air isothermally. This established simple calcination treatment method can be used as a low‐cost strategy for producing ilmenite‐based OCs with O2 uncoupling behaviour. The O2 uncoupling behaviour is expected to be beneficial to chemical looping combustion of fuels, promote fuel conversion, minimize OC loading, and reduce energy consumption.
Structural and Biological Insights into the Hot‐Spot Marine Natural Products Reported from 2012 to 2021
Authors: Liu Mingyu , Zhang Xingwang , Li Guoqiang
Published: May 2022

Comprehensive Summary

The vast marine ecosystem contains a sea of natural products, which are potential model molecules for new drug development. With more than one thousand new structures been discovered each year, the past decade has become the golden time for marine natural product discovery, leading to a valuable but extra‐large chemical database. Serving as an epitome of the most promising compounds, which take the ultra‐new skeletons and/or excellent bioactivities, this review covers 243 hot‐spot marine natural products reported from 2012 to 2021, to abstract some important chemical and/or biological inspirations for marine natural product study and marine drug development in the future. In addition, some general rules regarding to the source organism, structure‐specialty, organism‐structure specificity, and organism‐bioactivity relationship of these outstanding compounds will also be presented.
Radical‐Mediated Selective Functionalization of Unactivated Primary C—H Bonds
Authors: Wang Zhan‐Lin , Wang Fei
Published: May 2022

Radical‐mediated sp3 C—H functionalization has found broad applications in synthesis and late‐stage derivatization of complex molecules. The site‐selectivity of a given reaction is mainly dictated by the bond strength, polarity and steric accessibility of diverse C—H bonds as well as the characters of hydrogen atom acceptors. Unactivated sp3 C—H bonds usually follow the relative reactivity sequence of tertiary > secondary > primary, which is even recognized as the innate preferences of certain substrates. The development of innovative methods capable of overriding the “inherent” site‐selectivity is exceedingly attractive. Although it has been demonstrated that secondary C—H bonds could be selectively converted in the presence of weaker tertiary C—H bonds by tuning the steric and electronic properties of hydrogen atom acceptors, the selective activation of primary C—H bonds remains a daunting challenge. Herein, we highlight the recently emerging attempts towards this goal by interrogating the steric effect of hydrogen atom acceptors.
Spirooxindol‐1,3‐oxazine Alkaloids: Highly Potent and Selective Antitumor Agents Evolved from Iterative Structure Optimization
Authors: Eichhorst Annika , Gallhof Malte , Voss Alice , Sekora Anett , Eggers Leon , Huyen Le Thi , Junghanss Christian , Murua Escobar Hugo , Brasholz Malte
Published: May 2022

Spirooxindole‐1,3‐oxazines are a small and structurally unique class of spirooxindole alkaloids. To date, only four of these compounds have been isolated from natural sources, and their biological properties remained unknown thus far. Dioxyreserpine is a synthetic spirooxindole‐1,3‐oxazine, that can readily be prepared from the Rauvolfia alkaloid (–)‐reserpine by catalytic photooxygenation. While dioxyreserpine itself was now identified as a moderately effective antitumoral agent, structurally modified analogs of it emerged as a new class of highly potent and selective growth inhibitors of various human cancers, including pancreatic cancers. Systematic structural optimization ultimately led to an inhibitor displaying low‐micromolar IC50‐values against six cancer cell lines as well as selective apoptosis induction in vitro.
Defining disease modification in myelofibrosis in the era of targeted therapy
Authors: Pemmaraju Naveen , Verstovsek Srdan , Mesa Ruben , Gupta Vikas , Garcia Jacqueline S. , Scandura Joseph M. , Oh Stephen T. , Passamonti Francesco , Döhner Konstanze , Mead Adam J.
Published: May 2022

The development of targeted therapies for the treatment of myelofibrosis highlights a unique issue in a field that has historically relied on symptom relief, rather than survival benefit or modification of disease course, as key response criteria. There is, therefore, a need to understand what constitutes disease modification of myelofibrosis to advance appropriate drug development and therapeutic pathways. Here, the authors discuss recent clinical trial data of agents in development and dissect the potential for novel end points to act as disease modifying parameters. Using the rationale garnered from latest clinical and scientific evidence, the authors propose a definition of disease modification in myelofibrosis. With improved overall survival a critical outcome, alongside the normalization of hematopoiesis and improvement in bone marrow fibrosis, there will be an increasing need for surrogate measures of survival for use in the early stages of trials. As such, the design of future clinical trials will require re‐evaluation and updating to incorporate informative parameters and end points with standardized definitions and methodologies.
Safety, Tolerability, and Pharmacokinetics of Single and Multiple Ascending Oral Doses of Youkenafil Hydrochloride, a Phosphodiesterase Type 5 Inhibitor, in Healthy Chinese Male Volunteers
Authors: Liang Beibei , Wang Jin , Bai Nan , Chi Yulong , Wang Rui , Cai Yun
Published: May 2022

Youkenafil hydrochloride is a novel selective phosphodiesterase type 5 inhibitor for the treatment of erectile dysfunction. Its safety, tolerability, and pharmacokinetics were evaluated in healthy Chinese male volunteers. In addition, this study explored the effect of food on the pharmacokinetic parameters of youkenafil hydrochloride. The study was divided into 3 trials: a single ascending dose (25, 50, 100, 150, or 200 mg youkenafil), multiple dose (50, 100, or 150 mg youkenafil once daily for 7 consecutive days), and food effect (50 mg youkenafil single dose). The overall tolerability of youkenafil was good. Youkenafil was rapidly absorbed after a single oral dose. Food intake impeded absorption efficiency but had no significant effect on area under the plasma concentration–time curve values. The mean accumulation ratio in area under the plasma concentration–time curve and maximum plasma concentration ranged from 1.3 to 1.6 and from 1.2 to 1.4 after once‐daily dosing. There was no apparent accumulation following consecutive administration for 7 days. Less than 1% of the dose was found in urine as the intact drug for all dose groups. Single‐dose youkenafil up to 200 mg and multiple doses up to 150 mg were generally safe and well tolerated.
Sulfonates as Versatile Structural Counterions of Epoxidized Salts
Authors: Kui Tony , Chardin Charline , Rouden Jacques , Livi Sébastien , Baudoux Jérôme
Published: May 2022

Ionic liquids have recently emerged as monomers to synthesize multifunctional polymeric materials. Among such species, ionic epoxy‐based networks represent promising but underdeveloped materials that are hindered by tricky access to the functionalized ionic liquid monomers. To date, the reported epoxidized imidazolium salts have focused on highly toxic epichlorohydrin. This study concerns flexible and efficient methods to synthesize versatile building blocks with sulfonates as valuable anions. The judicious combination of an aliphatic or aromatic sulfonate with an imidazolium leads to new epoxidized salts with high structural variability and good chemical and thermal stability (>300 °C).
CO2/N2 Separation on Highly Selective Carbon Nanofibers Investigated by Dynamic Gas Adsorption
Authors: Selmert Victor , Kretzschmar Ansgar , Weinrich Henning , Tempel Hermann , Kungl Hans , Eichel Rüdiger‐A.
Published: May 2022

The development of highly selective adsorbents for CO2 is a key part to advance separation by adsorption as a viable technique for CO2 capture. In this work, polyacrylonitrile (PAN) based carbon nanofibers (CNFs) were investigated for their CO2 separation capabilities using dynamic gas adsorption. The CNFs were prepared by electrospinning and subsequent carbonization at various temperatures ranging from 600 to 1000 °C. A thorough investigation of the CO2/N2 selectivity resulted in measured values of 53–106 at 1 bar and 25 °C on CNFs carbonized at 600, 700, or 800 °C. Moreover, the selectivity increased with lower measurement temperatures and lower CO2 partial pressures, reaching values up to 194. Further analysis revealed high long‐term stability with no degradation over 300 cycles and fast adsorption kinetics for CNFs carbonized at 600 or 700 °C. These excellent properties make PAN‐based CNFs carbonized at 600 or 700 °C promising candidates for the capture of CO2.
Autonomic management of group communication for Internet of Things applications
Authors: Riker André , Mota Renato , Rośario Denis , Pereira Vasco , Curado Marilia
Published: May 2022

Dense Internet of Things (DIoT) is fazed by message loss, congestion, and energy consumption, due to a large number of connected devices. One of the main challenges in DIoT environments is to achieve self‐adaptable communication without human intervention, where the system is able to dynamically manage its own settings to mitigate common problems. Seeking to promote self‐adaptability in DIoT, this paper presents the Autonomic management of GRoup communication for intErnEt of thiNgs applications (AGREEN). It is an autonomous solution for IoT platforms that configures the communication settings to ensure the dynamic control of IoT devices considering a comprehensive set of aspects, such as traffic loss, sensing relevance, amount of energy harvested, and the number of monitoring nodes with renewable and non‐renewable energy. Extensive evaluation results show that AGREEN is able to autonomously change the number of nodes in the monitoring group and to improve system performance in terms of message loss, energy consumption, and communication interval compared to standard protocols designed for IoT.
Hybrid energy storage design and dispatch strategy evaluation with sensitivity analysis:Techno‐economic‐environmentalassessment
Authors: Citalingam Kanagaswarran , Go Yun Ii
Published: May 2022

International Energy Agency reported the net‐zero carbon target by 2050 in its recent annual report. The global energy landscape is expected to anticipate an energy transition with an increase in renewable energy share from 12% to 35% for electricity sector by 2050. Most of the countries in the world had pledged to be become net‐zero or carbon neutral countries by 2050. Solar photovoltaic (PV) and wind energy will contribute 50% of energy mix in this context. Solar PV and wind energy are intermittent resources that highly depending on the weather and climate conditions. The intermittency issues caused mismatch between electricity generation and demand profiles. This will greatly affect the requirement of meeting the daily load profile, satisfying the peak demand and resulting in generation of surplus, and so on. Energy storages play a vital role in this scenario by allowing this excess energy to be stored and used to meet the demand during low energy production. Previous literature evaluated the feasibility of utilizing battery energy storage in large‐scale solar PV plant in Malaysia using load following dispatch strategy, which can be further enhanced by utilizing a hybrid energy storage system. This study aims to develop an optimized hybrid energy storage system utilizing battery and supercapacitors to complement a large‐scale solar PV system. This study also evaluates two dispatch strategies that are load following and cycle charging for three different power system configurations. Subsequently, a market leading battery is modelled with parameters such as nominal voltage, capacity, round‐trip efficiency, minimum and maximum state of charge, and maximum and minimum charge and discharge current in four different scenarios utilizing two dispatch strategies. These studies are conducted using power system and energy storage modelling tools with localized energy data for the Malaysia context. The proposed hybrid energy storage system demonstrates an improvement of about 30% in annual throughput under the load following dispatch strategy. The hybrid power system also increases the renewable energy fraction by 5% in the system. This study creates an optimized framework in the development of energy storage for grid integration that permits high level of solar PV penetration in the transmission and distribution network.
A systematic review of task scheduling approaches in fog computing
Authors: Bansal Sumit , Aggarwal Himanshu , Aggarwal Mayank
Published: May 2022

Due to increased use of IoT devices and data sensors a huge amount of data is being produced for processing in real‐time. Fog computing has evolved as a solution for fast processing of data. To complete the data processing as per requirement of user, it is processed at fog nodes which are near the user. To complete work in a specified time with limited resources, task scheduling is performed. With the increased amount of data to be processed, the completion of task within given time in fog computing is a major challenge. So, scheduling of tasks and resources is a very important issue. A lot of research has been undertaken in recent years. In this survey, authors have reviewed various task scheduling algorithms suggested by researchers to meet the user requirements. The focus of this article is on diverse scheduling techniques being deployed in fog computing. An effort has been made to classify existing approaches, research issues and determine significant issues existing in this field. There are four major scheduling categories that are used by researchers namely, static, dynamic, heuristic, and hybrid. As per this study, 17% researchers deployed static, 23% dynamic, 47% heuristic, and 13% hybrid approaches, respectively. Analysis shows that for QoS (Quality of Service) parameters 19% researchers are focused on response time, 18% on cost and energy consumption, and 16% on makespan. For QoS parameter other factors have much smaller contribution in comparison to the above factors. In the tools used, researchers observed that 40% of the researches have used iFogSim, according to literature. Besides, this research article also discusses open issues and future work in the field of fog computing. This article also underlines various open issues and future directions in the field of fog computing.
An improved genetic algorithm approach to spectrum sensing for long range based cognitive radio networks
Authors: Yalçın Sercan
Published: May 2022

By designing cognitive radio networks (CRNs) for low power wide area networks (LPWANs), adaptive spectrum sensing plays an important role in using frequency bands effectively. With spectrum sensing, existing spectrum holes are filled by enabling secondary users to use the licensed band that primary users do not use. Many researchers have proposed various optimization or artificial intelligence techniques in CRNs for spectrum sensing. However, there is hardly any adaptive spectrum sensing method integrated into the LoRa communication standard, which is a very popular LPWAN technology. For this purpose, an adaptive optimization based spectrum sensing methodology with an improved genetic algorithm is proposed in this study. Depending on this methodology, two fitness functions adapted to the LoRa‐based network are defined. Thanks to these functions, the movement of individuals in the network population is provided. In parallel, received signal strength values of optimum LoRa nodes were determined by genetic coding, and bands to be used by SUs instead of PUs were discovered considering minimum bit errors. To verify the success of the proposed method, various simulation experiments were carried out. The performance results strikingly show that the proposed method is quite successful for LoRa‐CRNs. For example, the proposed method significantly improved the bit error rate performance, and reduced the number of faulty transmissions caused by packet collisions. It also reduced the packet error rate by more than 8% per minute in a 200‐node network.
Zur numerischen Berechnung der globalen Standsicherheit von Bauwerken im Boden
Authors: Jürgens Hauke , Vogel Paul , Henke Sascha , Grabe Jürgen
Published: May 2022

Der Einsatz der Finite‐Elemente‐Methode (FEM) zur Bemessung und Nachrechnung von geotechnischen Konstruktionen nimmt stetig zu. Sowohl bei Böschungen als auch Verbauwänden werden die Vorteile der FEM bereits zur Ermittlung der Verformungen und Beanspruchungen der Bauwerke im Gebrauchszustand (SLS) genutzt. Die Anwendung im Grenzzustand der Tragfähigkeit (ULS) ist für Verbauwände, wie Baugruben und Kaimauern, aktuell noch Stand der Wissenschaft. Durch eine erweiterte Festigkeitsreduktion, bei der zusätzlich zu den Scherparametern des Bodens die Bauteilfestigkeit reduziert wird, wird im Rahmen der hier durchgeführten Untersuchungen der Einfluss der Konstruktion berücksichtigt. Neben der Bauteilfestigkeit spielen weitere Parameter, wie die äußere Tragfähigkeit von Ankern bzw. Zugpfählen oder die Kontaktreibung zwischen Boden und Bauteil eine Rolle bei der Ermittlung des maßgebenden Versagensmechanismus. Mithilfe eines eigens programmierten Python‐Skripts wird die in Plaxis 2D implementierte Festigkeitsreduktion nachgebildet und exemplarisch an einer ausgesteiften Baugrube sowie einer rückverankerten Kaimauer angewendet und verifiziert. Durch die Erweiterung der mittels Python‐Skript implementierten Festigkeitsreduktion um zusätzliche Parameter, die relevant für die globale Standsicherheit geotechnischer Konstruktionen sind, wird deren Einfluss auf die Standsicherheitsberechnung und der resultierenden Versagensmechanismen untersucht.
Geochemical evidences on the origin and paleo‐oceanic depositional setting of the Naga Hills Ophiolite cherts, North East India
Authors: Thong Glenn T. , Imchen Watitemsu , Walling Temsulemba
Published: May 2022

The Jurassic‐Cretaceous chert of the Naga Hills Ophiolite (NHO) is tectonically juxtaposed with the mafics (mostly basalts) and ultramafics along the Indo‐Myanmar Ranges (IMR), which constitute the southeastern extension of the Indus‐Yarlung‐Tsangpo Suture. Petrographic and geochemical studies were taken up to determine their origin and paleo‐oceanic depositional environments. Cryptocrystalline quartz is intimately mixed with iron oxides and clay minerals containing poorly preserved radiolarians. Geochemical signatures indicate a predominantly biogenic origin for the NHO cherts, which were derived from radiolarians and other siliceous microfossils. Rare earth elements and trace element abundances indicate predominant contribution by scavenging from seawater with the minor influence of low‐temperature hydrothermal activity. Most of the NHO cherts were deposited in an open ocean basin where oxic conditions prevailed. Geochemical signatures endorsed by field relations of chert, pillow basalts, and limestone within the oceanic plate indicate that chert formation continued in the vicinity of oceanic islands. Organic matter played a pivotal role in regulating oxic‐anoxic conditions during deposition, as evidenced by redox‐sensitive trace elements. These cherts, envisaged to have been originally part of the Tethys, were tectonically emplaced during the Middle Eocene. They now constitute part of the NHO along the IMR.
Care burden, loneliness, and social isolation in caregivers of people with physical and brain health conditions in English‐speaking regions: Before and during the COVID‐19 pandemic
Authors: Grycuk Emilia , Chen Yaohua , Almirall‐Sanchez Arianna , Higgins Dawn , Galvin Miriam , Kane Joseph , Kinchin Irina , Lawlor Brian , Rogan Carol , Russell Gregor , O'Sullivan Roger , Leroi Iracema
Published: May 2022

Background

Public health restrictions due to the COVID‐19 (SARS CoV‐2) pandemic have disproportionately affected informal caregivers of people living with long term health conditions. We aimed to explore levels of care burden, loneliness, and social isolation among caregivers of people with enduring physical and brain health conditions in English‐speaking regions worldwide, by investigating outcomes before and during the COVID‐19 pandemic.

Methods

A cross‐sectional anonymous online survey data from 2287 English‐speaking caregivers of people with long term health conditions from four English‐speaking regions (UK, Ireland, USA, New Zealand) included measures of care burden, loneliness, and social isolation, reported before and during the COVID‐19 pandemic. Analyses were descriptive, followed by an ordinal regression model for predictors of burden.

Results

Compared to pre‐pandemic levels, all caregivers experienced a significant increase in burden, loneliness, and isolation. Caregivers of people with both brain health and physical conditions were the most burdened and had the highest levels of loneliness and isolation compared to caregivers of people with either a brain health or physical condition only. The increase in care burden among caregivers of people with brain health challenges was associated with caregiver's gender, moderate and severe emotional loneliness, magnitude and frequency of isolation during the pandemic, and care circumstances (cohabitation with the care recipient, restrictions on the ability to provide care).

Conclusions

Health and social care interventions should target caregivers' care circumstances and psychological outcomes, particularly in women, accounting for the significant additional burden of care, loneliness, and isolation resulting from pandemic‐related restrictions.
Say on pay votes, subsequent firm performance, and CEO risk‐taking behavior
Authors: Omar Ayishat , Sun Huey‐Lian , Tang Alex P.
Published: May 2022

Say‐on‐pay empowers shareholders by mandating advisory voting on executive compensation during annual meetings. Extant literature maintains that the degree of effectiveness of SOP remains unclear. Using shareholder voting data from 2011 to 2015, we estimate regression models, and from our analysis, we find improved subsequent firm performance for higher SOP voting dissent observations. Furthermore, we find a positive association between SOP dissent vote and risk‐taking. The findings suggest that managers take seriously the negative outcomes of SOP, especially the higher SOP voting dissent. This study contributes to the growing research on SOP votes, as it highlights some impact of SOP voting.
Origin and manifestation of semiconductor facet effects
Authors: Huang Michael H. , Kumar Gautam
Published: May 2022

Semiconductor crystals generally exhibit notable facet‐dependent electrical conductivity and photocatalytic activity properties. If semiconductor nanocrystals of different shapes are available, their light absorption and emission bands can also display facet dependence, although bulk plus surface absorption combines to give the recorded spectra. All these physical phenomena can be understood, assuming a thin surface layer exists with slight structural deviations as predicted by density functional theory (DFT) calculations to give dissimilar band structures and hence different degrees of band bending and barriers to charge transport across a particular crystal face. This layer thereby tunes light absorption. Recent X‐ray diffraction (XRD) and high‐resolution transmission electron microscopy (HR‐TEM) analyses begin to suggest the presence of the proposed surface layer.
The relation of common inflammatory cytokines with anxiety and depression and their values in estimating cardiovascular outcomes in coronary heart disease patients
Authors: Lu Hanmei , Yang Qinling , Zhang Yan
Published: May 2022

Background

Inflammatory cytokines are associated with the occurrence and severity of psychological disorders in cerebro‐cardiovascular disease patients. This study aimed to investigate the correlation of inflammatory cytokines with anxiety and depression in coronary heart disease (CHD) patients and their values for estimating cardiovascular outcomes.

Methods

Totally, 150 CHD patients and 50 healthy subjects were enrolled. Then, tumor necrosis factor (TNF)‐α, interleukin (IL)‐1β, IL‐6, IL‐10, and IL‐17 in their serum samples were detected using ELISA assay; anxiety and depression were assessed by the HADS score. For CHD patients, major adverse cardiac events (MACE) were recorded and evaluated.

Results

CHD patients presented with increased TNF‐α (median: 50.0 vs. 37.0 pg/ml, p < 0.001), IL‐1β (median: 2.7 vs. 2.0 pg/ml, p < 0.001), IL‐6 (median: 24.7 vs. 24.3 pg/ml, p = 0.032), IL‐17A (median: 58.6 vs. 43.6 pg/ml, p < 0.001), HADS‐A score (p < 0.001), HADS‐D score (p < 0.001), anxiety rate (p < 0.001), and depression rate (p < 0.001) compared to healthy subjects. Then, TNF‐α (p = 0.003), IL‐1β (p = 0.023), and IL‐17A (p < 0.001) were related to elevated HADS‐A score. Also, TNF‐α (p = 0.014) and IL‐17A (p = 0.020) positively, while IL‐10 (p = 0.047) negatively related to the HADS‐D score in CHD patients. Interestingly, elevated TNF‐α and IL‐17A were associated with anxiety and depression occurrence in CHD patients (all p < 0.05). Inspiringly, only TNF‐α high, but not other cytokines, was related to elevated accumulating MACE (p = 0.041), while no correlation of anxiety (p = 0.173) or depression (p = 0.068) with accumulating MACE was observed.

Conclusion

TNF‐α and IL‐17A correlate with anxiety and depression, while only TNF‐α high is related to elevated accumulating MACE in CHD patients.