bluuebunny/crossref_metadata_2025 huggingface dataset:
Suppressing the Loss of Polymer‐Based Dielectrics for High Power Energy Storage
Authors: Pei Jia‐Yao , Yin Li‐Juan , Zhong Shao‐Long , Dang Zhi‐Min
Published: August 2022

Polymer‐based dielectrics have received intensive interest from academic community in the field of high‐power energy storage owing to their superior flexibility and fast charge–discharge ability. Recently, how to suppress the loss of polymer‐based dielectrics has been increasingly recognized as a critical point to attain a high charge–discharge efficiency in the film capacitors. Some achievements are made in analyzing the source of loss and suppressing loss via Edison's trial and error method. In this review, the significance of suppressing loss in polymer‐based dielectrics is firstly emphasized. Then, different sources of loss are discussed carefully and an in‐depth analysis of the related measurements is presented. Next, recent research results in suppressing loss are summarized and discussed in detail according to different strategies. Finally, the challenges and opportunities in the loss suppression research for the rational design of high‐efficiency polymer‐based dielectrics are proposed.
Experimental Realization of a Superdispersion‐Enabled Ultrabroadband Terahertz Cloak
Authors: Cai Tong , Zheng Bin , Lou Jing , Shen Lian , Yang Yihao , Tang Shiwei , Li Erping , Qian Chao , Chen Hongsheng
Published: August 2022

Invisibility has been a topic of long‐standing interest owing to the advent of metamaterials and transformation optics, but still faces open challenges after its tremendous development in recent decades. One of the big challenges is the narrow bandwidth, as the realization of an invisibility cloak is usually based on a metamaterial—an artificial composite material composed of subwavelength resonator structures that are always associated with dispersion. Different from previous works that have tried to eliminate the material dispersion to enhance the bandwidth of an invisibility cloak, here, it is found that by judiciously harnessing the material dispersion, the bandwidth of the cloak can still be significantly increased. Interestingly, the material dispersion does not violate the law of causality. As a proof of concept, an ultrabroadband terahertz (THz) carpet cloak is experimentally demonstrated through an array of superdispersive microparticles, rendering the target object invisible to detection by both time‐ and frequency‐domain wideband systems. The work presents a feasible invisibility strategy that is closer to practical applications and may pave a brand‐new way for the development of dispersion‐dominated ultrabroadband metadevices.
Strategy to Construct High Thermal‐Stability Narrow‐Band Green‐Emitting Si‐CDs@MAs Phosphor for Wide‐Color‐Gamut Backlight Displays
Authors: Chen Jianying , Zou Xikun , Li Wei , Zhang Haoran , Zhang Xuejie , Molokeev Maxim S. , Liu Yingliang , Lei Bingfu
Published: August 2022

Developing innovative narrow‐band green‐emitting phosphors featuring low thermal quenching and eco‐friendliness for white light‐emitting diode (WLED) backlights is a pivotal challenge. Benefitting from narrowband and low toxicity of green‐emitting silanized carbon dots (Si‐CDs), an efficient confinement and protection strategy through embedding Si‐CDs in mesoporous aluminas (MAs) is proposed to construct MAs and Si‐CDs composites (Si‐CDs@MAs) with superior luminescence properties. Si‐CDs@MAs phosphor exhibits green emission at 526 nm with narrow full width at half maximum of 51 nm, zero‐thermal quenching even up to 423 K (104.1%@423 K of the emission peak intensity at 298 K), and the internal quantum efficiency of 64.46%. Compared with broad‐band yellow‐emitting solid‐state Si‐CDs (S‐Si‐CDs), the thermal stability, photostability, and water stability of Si‐CDs@MAs phosphor are remarkably improved due to surface protection. The WLED backlight is fabricated with optimized Si‐CDs@MAs phosphor, which shows high luminous efficacy of 117.43 lm W−1and wide color gamut (107% NTSC). Furthermore, this work provides the design principles of realizing stable narrow‐band solid‐state fluorescence carbon dots, suggesting its great potential for wide‐color‐gamut display application.
Systematic assessment of monogenic etiology in adult‐onset kidney stone formers undergoing urological intervention–evidence for genetic pretest probability
Authors: Schönauer Ria , Scherer Lotte , Nemitz‐Kliemchen Melanie , Hagemann Tobias , Hantmann Elena , Seidel Anna , Müller Luise , Kehr Stephanie , Voigt Cornelia , Stolzenburg Jens‐Uwe , Halbritter Jan
Published: August 2022

Kidney stone disease (KSD) is a prevalent condition associated with high morbidity, frequent recurrence, and progression to chronic kidney disease (CKD). The etiology is multifactorial, depending on environmental and genetic factors. Although monogenic KSD is frequent in children, unbiased prevalence data of heritable forms in adults is scarce. Within 2 years of recruitment, all patients hospitalized for urological kidney stone intervention at our center were consecutively enrolled for targeted next generation sequencing (tNGS). Additionally, clinical and metabolic assessments were performed for genotype–phenotype analyses. The cohort comprised 155 (66%) males and 81 (34%) females, with a mean age at first stone of 47 years (4–86). The diagnostic yield of tNGS was 6.8% (16/236), with cystinuria (SLC3A1, SLC7A9), distal renal tubular acidosis (SLC4A1), and renal phosphate wasting (SLC34A1, SLC9A3R1) as underlying hereditary disorders. While metabolic syndrome traits were associated with late‐onset KSD, hereditary KSD was associated with increased disease severity in terms of early‐onset, frequent recurrence, mildly impaired kidney function, and common bilateral affection. By employing systematic genetic analysis to a less biased cohort of common adult kidney stone formers, we demonstrate its diagnostic value for establishing the underlying disorder in a distinct proportion. Factors determining pretest probability include age at first stone (<40 years), frequent recurrence, mild CKD, and bilateral KSD.
Testing the link between isoaspartate and Alzheimer's disease etiology
Authors: Wang Jijing , Guo Cong , Meng Zhaowei , Zwan Marissa D. , Chen Xin , Seelow Sven , Lundström Susanna L. , Rodin Sergey , Teunissen Charlotte E. , Zubarev Roman A.
Published: August 2022

Isoaspartate (isoAsp) is a damaging amino acid residue formed in proteins as a result of spontaneous deamidation. IsoAsp disrupts protein structures, making them prone to aggregation. Here we strengthened the link between isoAsp and Alzheimer's disease (AD) by novel approaches to isoAsp analysis in human serum albumin (HSA), the most abundant blood protein and a major carrier of amyloid beta (Aβ) and phosphorylated tau (p‐tau) in blood. We discovered a reduced amount of anti‐isoAsp antibodies (P < 0.0001), an elevated isoAsp level in HSA (P < 0.001), more HSA aggregates (P < 0.0001), and increased levels of free Aβ (P < 0.01) in AD blood compared to controls. We also found that deamidation significantly reduces HSA capacity to bind with Aβ and p‐tau (P < 0.05). These suggest the presence in AD of a bottleneck in clearance of Aβ and p‐tau, leading to their increased concentrations in the brain and facilitating their aggregations there.
Intracellular Delivery of Glutathione Peroxidase Degrader Induces Ferroptosis In Vivo
Authors: Luo Tianli , Zheng Qizhen , Shao Leihou , Ma Tianyu , Mao Lanqun , Wang Ming
Published: August 2022

Ferroptosis is a new form of regulated, non‐apoptotic cell death driven by iron‐dependent phospholipid peroxidation. Its therapeutic potential is however, greatly limited by the low efficiency of regulating cell ferroptosis in vivo. Herein, we report a PROTAC‐based protein degrader that depletes endogenous glutathione peroxidase 4 (GPX4) and induces cancer cell ferroptosis. We demonstrate that a rationally designed GPX4 degrader, dGPX4, can deplete tumor cell GPX4 via proteasomal protein degradation, showing a five‐fold enhancement of ferroptosis induction efficiency compared to that of GPX4 inhibition using ML162. Moreover, we show that the intracellular delivery of dGPX4 using biodegradable lipid nanoparticles (dGPX4@401‐TK‐12) induces cell‐selective ferroptosis by targeting cancer cell microenvironment. The in vivo administration of dGPX4@401‐TK‐12 effectively suppresses tumor growth without appreciable side effects. We anticipate the protein degradation strategy described herein could be easily expanded to other essential regulatory proteins of ferroptosis for developing targeted cancer therapeutics.
Rapid and Economical Chemoselective Metabolomics Using Boronate Ester Formation on a Monolithic Substrate
Authors: Wang Xiangyu , Bai Peirong , Li Ziying , Zhu Quan‐Fei , Wei Zhenwei , Feng Yu‐Qi
Published: August 2022

Although chemoselective labeling strategies show great potential in in‐depth description of metabolomics, the associated time and expense limit applications in high‐throughput and routine analysis. We report a fast and effective chemoselective labeling strategy based on multifunctionalized monolithic probes. A rapid pH‐responsive boronate ester reaction was employed to immobilize and release probe molecules from substrate in 5 min. The mesoporous surface and hierarchically porous channels of the substrate allowed for accelerated labeling reactions. Moreover, the discernible boron beacons allowed for recognition of labeled metabolites with no need for expensive isotopic encoding. This new strategy has been successfully used for submetabolome analysis of yeast cells, serum, and faeces samples, with improved sensitivity for short chain fatty acids up to 1 600 times compared with non‐labeled liquid chromatography–mass spectrometry (LC‐MS) methods.
Synthese des Hexachlorosulfat(IV)‐Dianions ermöglicht durch Polychloridchemie
Authors: Voßnacker Patrick , Wüst Alisa , Müller Carsten , Kleoff Merlin , Riedel Sebastian
Published: August 2022

Es wird über die Herstellung und strukturelle Charakterisierung von [NEt3Me]2[SCl6] berichtet. Diese Verbindung ist das erste Beispiel für ein [SCl6]2−‐Dianion und für ein Halogensulfat‐Anion vom Typ [SxXy]z− im Allgemeinen. Das [SCl6]2− gehört zur Gruppe der AB6E‐Systeme mit 14 Valenzelektronen und bildet im festen Zustand eine oktaedrische Struktur aus. Interessanterweise führt die Co‐Kristallisation von CH2Cl2 zur Bildung von [NEt3Me]2[SCl6]⋅4 CH2Cl2 in dem das [SCl6]2−‐Dianion eine C4v‐Symmetrie aufweist. Wie quantenchemische Berechnungen nahelegen, wird die Verzerrung der Struktur nicht durch ein stereochemisch aktives freies Elektronenpaar, sondern durch verstärkte Wasserstoffbrückenbindungen mit CH2Cl2 verursacht. Bei erhöhten Temperaturen zersetzt sich [NEt3Me]2[SCl6] in verschiedene Schwefel‐Chlor‐Verbindungen, wie sich durch Raman‐Spektroskopie nachweisen lässt. Abkühlen auf Raumtemperatur führt zur selektiven Bildung von [NEt3Me]2[SCl6], das mit dem gut untersuchten SCl4 vergleichbar ist.
Megalo‐Kavitanden: Synthese von Acridan[4]arenen und Bildung großer, tiefer Kavitanden für die selektive C70‐Aufnahme
Authors: Pfeuffer‐Rooschüz Jonathan , Heim Salome , Prescimone Alessandro , Tiefenbacher Konrad
Published: August 2022

Tiefe Kavitanden, konkave molekulare Behälter, stellen eine wichtige supramolekulare Wirtsklasse dar, die für eine Vielzahl von Anwendungen erforscht wurde, die von der Sensorik, Schaltung, Reinigung und Adsorption bis hin zur Katalyse reichen. Eine wesentliche Einschränkung auf diesem Gebiet ist das Kavitandenvolumen, das durch die Größe der verwendeten Strukturplattform (Durchmesser ca. 7 Å) begrenzt ist. Wir berichten hier über die Synthese einer neuartigen, beispiellos großen Strukturplattform namens Acridan[4]aren (Durchmesser ca. 14 Å), die sich für die Konstruktion von Kavitanden mit einem Volumen von bis zu 814 Å3 eignet. Diese Megalo‐Kavitanden dienen als größenselektive Wirte für Fullerene mit einer Bindungsaffinität von mM bis sub‐μM für C60 und C70. Darüber hinaus wurde die selektive Bindung von Fulleren C70 in Gegenwart von C60 nachgewiesen.
Exploiting the Unique Properties of Lanthanide Complexes as FRET Probes: from Quantitation to Protein Dynamics
Authors: Wheeler Simon , Butler Stephen J.
Published: August 2022

Lanthanide complexes have a range of photophysical properties – large pseudo‐Stokes shifts, narrow linewidths, long emission lifetimes – that make them ideal as emissive probes. These same properties also render them excellent donors in assays relying on Förster resonance energy transfer (FRET). Over the last 20 years these assays have increased in sophistication so that a range of biological applications has now been demonstrated. These range from easy‐to‐use quantitation of proteins (a practical alternative to western blotting) to sophisticated experiments which give real‐time information on the movement of proteins or allow simultaneous readout of both agonist and co‐activator binding to a protein. We introduce the principles and difficulties of using such assays before surveying the full scope of what they can achieve and attempting to anticipate future developments in this area.
Lubricant hydrogenation over a functionalized clay‐based Pd catalyst: A combined computational and experimental study
Authors: Asadi Zahra , Sadjadi Samahe , Nekoomanesh‐Haghighi Mehdi , Posada‐Pérez Sergio , Solà Miquel , Bahri‐Laleh Naeimeh , Poater Albert
Published: August 2022

In the world of chemical catalysis and with the importance of being especially in the petrochemical industry, hydrogenation reactions play a central role. Within this framework, the hydrogenation of polyalphaolefins (PAOs) is receiving increasing attention. In this work, for the sake of efficiency and to furnish an efficient support for the immobilization of Pd nanoparticles, a new catalyst containing the 1,3‐diaminopropane (DAP) diamine for the decoration of the halloysite (HNT) outer surface is used. The resulting catalytic system exhibited high activity in the hydrogenation of PAOs and high catalyst recyclability since it could be used for several reaction runs, with no appreciable loss of the catalytic activity and Pd leaching. In addition, the nature of the heterogeneous catalysis was demonstrated by a hot filtration test. Density functional theory (DFT) calculations not only unveil the reaction mechanism, in which the rate determining step was determined mechanistically, but also confirm the best location of the palladium nanoparticles, placed between the diamino ligands in the halloysite surface. Furthermore, the computational simulations rationalize why experimentally the catalytic process requires hydrogen pressure of 7 bar and temperature of 130°C to reach high yield.
Synthesis and evaluation of carbamate derivatives as fatty acid amide hydrolase and monoacylglycerol lipase inhibitors
Authors: Jaiswal Shivani , Gupta Garima , Ayyannan Senthil R.
Published: August 2022

Fatty acid amide hydrolase (FAAH) and monoacylglycerol lipase (MAGL) are the primary catabolic enzymes for endocannabinoids, anandamide (AEA), and 2‐arachidonoyl glycerol. Numerous studies have shown that FAAH and MAGL play an important role in modulating various central nervous system activities; hence, the development of small molecule FAAH/MAGL inhibitors is an active area of research. Several small molecules possessing the carbamate scaffold are documented as potential FAAH/MAGL inhibitors. Here, we designed and synthesized a series of open chain and cyclic carbamates and evaluated their dual FAAH–MAGL inhibition properties. Phenyl [4‐(piperidin‐1‐ylmethyl)phenyl]carbamate (2e) emerged as the most potent MAGL inhibitor (IC50 = 19 nM), benzyl (1H‐benzo[d]imidazol‐2‐yl)carbamate (3h) was the most potent FAAH inhibitor (IC50 = 55 nM), and phenyl (6‐fluorobenzo[d]thiazol‐2‐yl)carbamate (2i) egressed as a nonselective dual FAAH–MAGL inhibitor (FAAH: 82 nM, MAGL: 72 nM). The enzyme kinetics experiments revealed that the compounds inhibit FAAH/MAGL in a covalent‐reversible manner, with a mixed binding mode of action. Moreover, the lead compounds were found suitable for blood–brain permeation in the parallel artificial membrane permeation assay. Furthermore, docking simulation experiments suggested that the potency of the lead compounds was governed by hydrogen bonds and hydrophobic interactions with the enzyme active sites. In silico drug‐likeness and ADMETox prediction studies provided useful information on the compounds' oral absorption, metabolism, and toxicity profiles. In summary, this study afforded potent multifunctional carbamates with appreciable pharmacokinetic profiles meriting further investigation.
Novel approaches of erythrosine B as a food dye‐derived spectroscopic probe for assessing trospium chloride in raw material and dosage form
Authors: Yosrey Eman , Elmansi Heba , Sheribah Zeinab A. , Metwally Mohammed El‐Sayed
Published: August 2022

Two facile spectroscopic methodologies were designed for estimating trospium chloride (TPM) in raw material and tablets with high operational reliability and selectivity. The methods were based on using erythrosine B (EB) as a spectroscopic tool for ion‐pair complex formation with the drug. In a mild acidic medium of Britton Robinson buffer (pH 4.0), the ionized hydroxyl group in the reagent interacted with the ionized amine in the studied drug. Method I was based on the spectrophotometric measuring of the absorbance of the reaction product at 557 nm. Method II was based on spectrofluorimetric measurement of the quenching effect of TPM on the inherent fluorescence of EB at 550 nm (λex. = 528 nm). The two methods showed linearity through ranges 1.0–10.0 and 0.5–10.0 μg/ml for Methods I and II, respectively. The suggested methods were exploited for analyzing TPM in Trospamexin® tablets and showed good applicability. The designed systems were validated as per International Conference on Harmonization guidelines. Experimental conditions were modulated to obtain the best sensitivities. The quenching mechanism was investigated and the quenching constant was computed relying on the Stern–Volmer equation. Environmental impact was appraised using novel metric green tools, GABI, and AGREE. The suggested systems excelled over other reported methods in terms of greenness, sensitivity, and cost–effectiveness.
Second‐line treatment options in advanced thymic carcinoma after failure of platinum‐based chemotherapy: A multicenter retrospective study
Authors: Wang Yang , Zhang Xuanye , Tian Dan , Han Sen , Zhang Jie , Nie Jun , Dai Ling , Hu Weiheng , Chen Xiaoling , Ma Xiangjuan , Tian Guangming , Wu Di , Zhang Ziran , Long Jieran , Fang Jian
Published: August 2022

Background

Currently there is no standard therapy recommended for second‐line treatment for thymic carcinoma. Our study compared multidrug chemotherapy, single‐agent chemotherapy, and PD‐1 inhibitors in patients diagnosed with advanced thymic carcinoma who had previous platinum‐based chemotherapy at the clinic.

Methods

The study included patients with thymic carcinoma who failed first‐line platinum‐based chemotherapy. Kaplan–Meier methods were applied in the study for estimating the progression‐free survival (PFS) and overall survival (OS) curves. Pearson chi‐square or Fisher's exact chi‐square test was adopted to make comparisons of the objective response rate (ORR) between treatment groups. Cox regression was used for the multivariate analyses in PFS and OS.

Results

Among the 92 patients enrolled, multidrug chemotherapy was used in 51 (55.4%) patients for second‐line therapy. Thirty‐six patients (35.9%) received single‐agent chemotherapy, and eight patients (8.7%) underwent PD‐1 inhibitors. The multidrug chemotherapy group showed better efficacy than the other two groups, with an ORR of 35.3% (p = 0.006). The median PFS of multidrug chemotherapy, single‐agent chemotherapy and PD‐1 inhibitors were 5.0 months, 3.0 months, and 4.0 months, respectively (p = 0.008). Patients in the multidrug chemotherapy group also showed an advantage in OS in comparison with the other two treatment groups (p = 0.045), with a median OS of 30.4 months. Multivariate analysis showed that second‐line treatment was independent factor for both PFS (p = 0.035) and OS (p = 0.037). Grade 3–4 AEs were mostly detected in patients receiving multidrug chemotherapy and were primarily hematologic. Treatment‐related mortality was not found in any of the groups.

Conclusions

Multidrug chemotherapy had a trend toward a more positive response rate and outcomes in longer survival time than single‐agent chemotherapy and PD‐1 inhibitors. Multidrug chemotherapy is a choice worth considering for second‐line therapy in patients with thymic carcinoma if tolerable.
The long noncoding RNA HOXA11‐AS promotes lung adenocarcinoma proliferation and glycolysis via the microRNA‐148b‐3p/PKM2 axis
Authors: Chen Wenkun , Li Xuena , Du Bulin , Cui Yan , Ma Yu , Li Yaming
Published: August 2022

Background

Lung cancer is the most common malignancy in the world and a growing number of researches have focused on its metabolic characteristics. Studies have shown that the long non‐coding RNA (lncRNA) HOXA11‐AS is aberrantly expressed in many tumors. However, the role of HOXA11‐AS in lung adenocarcinoma (LUAD) glycolysis and other energy metabolism pathways has not been characterized.

Method

The mRNA levels of HOXA11‐AS, microRNA‐148b‐3p (miR‐148b‐3p), and pyruvate kinase M2 (PKM2) were detected using qRT‐PCR. The expression levels of proteins were measured using immunohistochemistry and western blot. The CCK‐8, EdU, and colony formation assays were used to assess proliferation. Glycolytic changes were assessed by measuring lactate production, ATP production, and 18F‐FDG uptake. Bioinformatics analysis and dual‐luciferase reporter assays were used to characterize the relationship between HOXA11‐AS, miR‐148b‐3p, and PKM2. Proliferation and glycolytic changes were analyzed in xenograft tumor experiments using Micro‐PET imaging after downregulation of HOXA11‐AS in vivo.

Results

The expression of HOXA11‐AS was markedly increased in LUAD, and was strongly associated with a poor prognosis. In addition, HOXA11‐AS promoted proliferation and glycolysis in LUAD, and miR‐148b‐3p inhibited proliferation and glycolysis in LUAD. Mechanistically, HOXA11‐AS positively regulated PKM2 expression by binding to miR‐148b‐3p, thereby promoting LUAD proliferation and glycolysis. In addition, HOXA11‐AS inhibited LUAD xenograft growth and glycolysis via upregulation of miR‐148b‐3p expression and downregulation of PKM2 expression in vivo.

Conclusions

These results showed that HOXA11‐AS enhanced LUAD proliferation and glycolysis via the miR‐148b‐3p/PKM2 axis. The findings in this paper expanded our understanding of the molecular mechanisms of LUAD tumorigenesis and glycolysis and showed that HOXA11‐AS could be useful as a diagnostic and prognostic marker for LUAD. 18F‐FDG PET/CT can be used to visually evaluate the therapeutic effect of targeting HOXA11‐AS.
Calcicoptosis Induced by Purple Sweet Potato Anthocyanins through the Nonosmotic Regulation of the NFAT5/S100A4‐S100A9 Pathway in Acute Lymphoblastic Leukemia
Authors: Guo Ling , Jin Yanling , Yang You , Liu Jing , Liu Chunyan , Zeng Yan , Guo Qulian , Liu Wenjun
Published: August 2022

Purple sweet potato is considered an abundant, inexpensive, and ideal source of anthocyanins. Purple sweet potato anthocyanins (PSPAs) have been shown to possess high antimutagenicity and antitumor effects due to the abundance of acylated anthocyanins. However, the effect and underlying mechanism of PSPA effects in acute lymphoblastic leukemia (ALL), especially T‐cell acute lymphoblastic leukemia (T‐ALL), remain unclear. In this study, the antileukemic effects of PSPAs and the underlying molecular mechanisms were evaluated by in vitro and in silico assays. PSPAs extracted from ten cultivars were analyzed and quantified. Anthocyanins from Nanzi 018, which showed the best antileukemic effect, were selected to analyze the underlying mechanism. First, the PSPAs potently reduced cell viability and induced apoptosis. Additionally, the PSPAs sharply increased intracellular Ca2+ levels, which resulted in calcium overload in T‐ALL cells. Furthermore, on the basis of bioinformatics analyses, we focused on an osmotically regulated transcription factor, NFAT5. Molecular docking preliminarily indicated that PSPA molecules bound and interacted with the NFAT5 protein. Western blot analyses confirmed that PSPAs elicited calcium overload by nonosmotic regulation of NFAT5/S100A4‐S100A9 pathway activation. Moreover, pretreatment with a NFAT5 inducer confirmed that PSPAs targeted NFAT5 and affected p38/NF‐κB/Bcl‐2/Caspase‐3 axis activation. This study demonstrates that PSPAs exert their antileukemic effects through calcicoptosis induction by targeting NFAT5.
Anthocyanin profile and main antioxidants in pigmented wheat grains and related millstream fractions
Authors: Iannucci Anna , Suriano Serafino , Cancellaro Stefano , Trono Daniela
Published: August 2022

Background and Objectives

Increasing evidence has shown the potential for foods made from anthocyanin‐rich cereal grains to reduce the development and progression of many degenerative chronic diseases. Among cereals, only pigmented rice and maize have been used for food production, whereas for blue and purple wheat grains the food industry has been more limited. In light of this, the present study was aimed at characterizing the whole meal, bran, and flour of the blue bread wheat “Sebesta Blue‐2” and the purple durum wheats “T‐1303” and “‘ELS 6304‐56” in relation to their total phenolic content (TPC), total proanthocyanidin content (TPrC), total anthocyanin content (TAC), and total antioxidant activity (TAA) determined spectrophotometrically, and their anthocyanin profile and TAC determined by high‐performance liquid chromatography (HPLC) (TACHPLC).

Findings

Among the milling fractions, the bran showed the highest phytochemical content and antioxidant activity, with values 1.6–8.3‐ and 4.0–9.3‐fold higher than those observed in the whole meal and flour, respectively. Among genotypes, the highest phytochemical content and antioxidant activity were observed in Sebesta Blue‐2, followed by T‐1303 and ELS 6304‐56. The strongest differences among genotypes concerned the TACHPLC, with values that in Sebesta Blue‐2 were 4.8‐ and 14.1‐fold higher than T‐1303 and ELS 6304‐56, respectively. Multivariate analysis highlighted the best profile in terms of phytochemical content and antioxidant activity in the bran of Sebesta Blue‐2 with very high values of TPC, TPrC, glycosylated anthocyanins, and TAA, followed by the bran of T‐1303, with high‐to‐very high values of TPC, TPrC, anthocyanins and TAA, and the whole meal of Sebesta Blue‐2, with high values of glycosylated anthocyanins and intermediate values of TPC, TPrC, and TAA.

Conclusions

The bran of Sebesta Blue‐2 and T‐1303 could be used as an additive in cereal‐based fortified‐functional foods or could be further processed to produce nutraceutical supplements. The whole meal of Sebesta Blue‐2 could be used as starting material for the preparation of baked products rich in health‐promoting compounds.

Significance and novelty

The present study is one of the few studies to report the anthocyanin profile for the milling fractions of pigmented grains and is the first to report the existence of proanthocyanidins in blue and purple wheat grains and their milling fractions.
Beneficial Effects of Low Iron Contents on Cobalt‐Containing Spinel Catalysts in the Gas Phase 2‐Propanol Oxidation
Authors: Dreyer Maik , Hagemann Ulrich , Heidelmann Markus , Budiyanto Eko , Cosanne Nicolas , Ortega Klaus Friedel , Najafishirtari Sharif , Hartmann Nils , Tüysüz Harun , Behrens Malte
Published: August 2022

Oxidation reactions are highly relevant transformation reactions in the industry. Mixed Co and Fe containing oxides are promising substituents for noble‐metal‐based catalysts due to lower cost and higher thermal stability. Performing oxidation catalysis in the liquid phase is desired to prevent total oxidation. An approach toward liquid phase reactions is water vapor added to the gas stream, which can help to build an experimental bridge between both phases. Here, nanocasted Co3‐xFexO4 spinels are studied in the gas phase oxidation of 2‐propanol as a probe for selective oxidation without and with the addition of water into the reaction feed. In both cases, low amounts of Fe (≤4 %) were found to be beneficial for the activity. Under wet conditions, there is a negative effect on the activity below 150 °C during heating due to competitive adsorption. However, at higher temperatures during cooling, the activity is higher due to a slower deactivation.
Hydrogen‐Free Hydrogenation of a Nitrogen‐Containing Ring of Quinolines in an Alcoholic Suspension of a Titanium(IV) Oxide Photocatalyst Modified with Metal Cocatalysts
Authors: Kominami Hiroshi , Yato Ryuichi , Tanaka Atsuhiro
Published: August 2022

TiO2 photocatalysts having various metal cocatalysts were prepared and used for photocatalytic hydrogenation of quinoline in 2‐propanol suspensions, in which 2‐propanol acted as the hydrogen source in addition to the solvent. Hydrogenation over cocatalyst‐loaded TiO2 competed with H2 evolution by the self‐coupling of active hydrogen species over the cocatalyst, and the use of TiO2 with a Rh cocatalyst resulted in a large 1,2,3,4‐tetrahydroquinoline (THQn) yield and a much larger H2 yield. In contrast, the use of TiO2 with an inexpensive Cu cocatalyst resulted in a relatively large THQn yield with greatly suppressed evolution of H2, and the hydrogenation was greatly accelerated at slightly elevated temperatures with the rate being almost the same as that with Rh−TiO2 at the same temperature. Based on the results of a kinetic study, the catalytic properties of Cu−TiO2 and Rh−TiO2 are discussed. Hydrogenation over Cu−TiO2 under solar light was investigated in addition to the expandability and reusability of Cu−TiO2.
Hybrid feature extraction and optimized deep convolutional neural network based video shot boundary detection
Authors: Mishra Ravi
Published: August 2022

This paper presents a hybrid feature extraction and optimized deep learning model for the effective shot boundary detection (SBD). A cross‐guided bilateral filtering technique is used for pre‐processing. A hybrid fuzzy histogram with dual tree complex wavelet transform (FH‐DTCWT) is developed for the feature extraction to extract the visual features from the pre‐processed frames of the block. Candidate segment selection process is performed to identify the non‐boundary frames from the extracted features to improve the accuracy. Continuity matrix is created using the possible transition frames to verify that the frames are in sequential order without any gap. Classification of transition types are performed by the proposed optimized deep convolutional neural network. Optimized deep learning (DCNN‐RBESO) model is the combination of deep convolutional neural network (DCNN) and Rider bald eagle search optimization (RBESO) algorithm. To update the weight of DCNN model in learning, RBESO is utilized. MATLAB tool is used to develop the proposed SBD model. The experimental analysis is carried out for the proposed model using TREC Video Retrieval Evaluation (TRECVID) and VideoSeg datasets. The proposed model outperformed in the detection of shot boundaries in terms of precision, recall, and F1‐score.
Sperm Chromatin Structure Assay (SCSA®) for Fertility Assessment
Authors: Evenson Donald P.
Published: August 2022

The Sperm Chromatin Structure Assay (SCSA®) is a federally registered protocol for simultaneous flow cytometric measures of sperm DNA integrity and chromatin structure. Fresh or frozen/thawed raw semen samples are diluted in buffer to a sperm concentration of ∼1–2×106 /ml and then treated with a pH 1.20 buffer for 30 s to open the DNA strands at sites of DNA strand breaks. The sperm are then stained with acridine orange (AO) that intercalates into double‐strand DNA and fluoresces green (515–530 BP filter) and stacks on single‐strand DNA that fluoresces red (630 LP filter) upon excitation from a 488 nm laser. The extent of single and double DNA strand breaks (DNA fragmentation index, %DFI) and level of excess nuclear histones (high DNA stainable sperm, %HDS) are simultaneously measured in individual sperm. From the time a fresh or frozen/thawed semen sample is received at the site of a flow cytometer (FCM) programmed for the SCSA protocol, data can be obtained within about 10 min on 5–10×103 sperm. The %DFI and %HDS can be determined by computer‐gated regions on the green versus red cytogram. Alternatively, a determination is made by transforming the green versus red cytogram to a total DNA stainability (red + green fluorescence) versus red/red + green fluorescence cytogram from which a frequency histogram is produced and the %DFI calculated from it. The clinical threshold for human natural or IUI fertilization is 25% DFI at which point the ART lab should consider moving to ICSI fertilization. The clinical threshold for HDS is also 25%; values above this level may result in early embryo death due to abnormal gene readout caused by the abnormal tertiary structure of chromatin. Numerous lifestyle and environmental factors cause sperm DNA fragmentation. Reactive oxygen species (ROS) play a significant role in DNA breakage. © 2022 The Authors. Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Sperm Chromatin Structure Assay (SCSA®)

Basic Protocol 2: SCSA data analysis: Calculations of %DFI and %HDS of semen samples by one of two methods

Support Protocol 1: SCSA sample collection and shipping

Support Protocol 2: Flow cytometer set up

Support Protocol 3: Selection and use of reference samples
Origin of the Rarely Reported High Performance of Mn‐doped Carbon‐based Oxygen Reduction Catalysts
Authors: Reddy Samala Nagaprasad , Grinberg Ilya
Published: August 2022

Recent efforts to develop durable high‐performance platinum‐group metal (PGM)‐free oxygen reduction reaction (ORR) electrocatalysts have focused on Fe‐ and Co‐based molecular and pyrolyzed catalysts. While Mn‐based catalysts have advantages of lower toxicity and higher durability, their activity has been generally poor. Nevertheless, several examples of high‐performance Mn‐based catalysts have been reported. Thus, it is necessary to understand why Mn‐based materials much more rarely show high catalytic ORR performance and to determine the factors that can lead to the achievement of such high performance in these rare cases. We have studied the effects of the changes in the macrocycle structure, axial ligand, distance between the active sites, interactions with the dopant N atoms and the presence of an extended carbon network on the ORR catalysis of various Mn‐, Fe‐, and Co‐based systems through the comparison of the adsorption energies of the ORR intermediates. We find that the sensitivity to the local environment changes is the largest for Mn and is the smallest for Co, with Fe between Mn and Co. Our results showed that the strong binding of OH by Mn and the strong sensitivity of the Mn to the modification of its environment necessitate a precise combination of local environment changes to achieve a high onset potential (Vonset) in Mn‐based catalysts. By contrast, the weaker binding of OH by Fe and Co and their weaker sensitivity to local environment changes lead to a wide variety of local environments with favorable catalytic activity (Vonset>0.7 V) for Co‐ and Fe‐based systems. This explains the scarcity of reported Mn‐based pyrolyzed catalysts and suggests that precise material synthesis and engineering of the active site can achieve high‐performance Mn‐based ORR electrocatalysts with high activity and durability.
AttentionMask R‐CNNwith edge refinement algorithm for identifying circulating genetically abnormal cells
Authors: Xu Xu , Li Congsheng , Fan Xianjun , Lan Xinjie , Lu Xing , Ye Xin , Wu Tongning
Published: August 2022

Recent studies have suggested that circulating tumor cells with abnormalities in gene copy numbers in mononuclear cell‐enriched peripheral blood samples, such as circulating genetically abnormal cells (CACs), can be used as a non‐invasive tool to detect patients with benign pulmonary nodules. These cells are identified through fluorescence signals counting by using 4‐color fluorescence in situ hybridization (FISH) technology that exhibits high stability, sensitivity, and specificity. When FISH data are analyzed, the overlapping cells and fluorescence noise is a great challenge for identifying of CACs, thereby seriously affecting the efficiency of clinical diagnosis. To address this problem, in this study, we proposed an end‐to‐end FISH‐based method (CACNET) for CAC identification. CACNET achieved nuclear segmentation and counted 4‐color staining signals through improved Mask region‐based convolutional neural network (R‐CNN), followed by cell category (normal cell, deletion cell, gain cell, or CAC) according to pathological criteria. Firstly, the segmentation accuracy of overlapping nuclei was improved by adding an edge constraint head during training. Then, the interference of fluorescence noise was reduced by fusing non‐local module to reconstruct the feature extraction network of Mask R‐CNN. We trained and tested the proposed model on a dataset comprising 700 frames with 58,083 nuclei. The Accuracy, Sensitivity, and Specificity (overall performance metric for the algorithm) of CAC identification with CACNET were 94.06%, 92.1%, and 99.8%, respectively. Moreover, the developed method exhibited approximately identification speed of approximately 0.22 s per frames. The results showed that the proposed method outperformed the existing CAC identification methods, making it a promising approach for early screening of lung cancer.
Precision beam shaping by spatial frequency filtering
Authors: Nakata Yoshiki , Hirakawa Yuto , Osawa Kazuhito , Tsubakimoto Koji , Shiraga Hiroyuki
Published: August 2022

Flattop beams are in high demand for a variety of applications, including uniform surface treatment, interference laser processing, repairing and skin therapy. In this experiment, we optimized the direction of phase grating to spatially separate the beam into extracted and residual components in the Fourier plane, and spatially filtered the components to form a square or hexagonal flattop beam with no wave‐like structure inside and high edge steepness.
20π Antiaromatic Isophlorins without Metallation or Core Modification**
Authors: Sugimura Haruna , Nakajima Kana , Yamashita Ken‐ichi , Ogawa Takuji
Published: August 2022

Isophlorins (two‐electron‐reduced porphyrins) with 20π antiaromaticity have been synthesized by metallation or core modification (replacing the inner NHs with less bulky atoms) thus far. The core‐modification number (CMN) is an important factor for the stability of isophlorins against their oxidation to porphyrins. However, isophlorins with small CMN (≤2), i. e., without significant core modification, are difficult to synthesize and important for understanding their structure–antiaromaticity relationships. Herein, we report the synthesis of free‐base (metal‐free) antiaromatic isophlorins with no core modification (CMN=0) for the first time. β‐Tetracyanoporphyrins were successfully reduced by hydrazine to their corresponding isophlorins under aerobic conditions. These porphyrin/isophlorin transformations are reversible. Their structure and antiaromaticity were studied via 1H NMR, UV‐vis/near‐infrared absorption spectroscopy, X‐ray diffraction and theoretical calculations.
Conjugate sparse plus low rank models for efficient Bayesian interpolation of large spatial data
Authors: Shirota Shinichiro , Finley Andrew O. , Cook Bruce D. , Banerjee Sudipto
Published: August 2022

A key challenge in spatial data science is the analysis for massive spatially‐referenced data sets. Such analyses often proceed from Gaussian process specifications that can produce rich and robust inference, but involve dense covariance matrices that lack computationally exploitable structures. Recent developments in spatial statistics offer a variety of massively scalable approaches. Bayesian inference and hierarchical models, in particular, have gained popularity due to their richness and flexibility in accommodating spatial processes. Our current contribution is to provide computationally efficient exact algorithms for spatial interpolation of massive data sets using scalable spatial processes. We combine low‐rank Gaussian processes with efficient sparse approximations. Following recent work by Zhang et al. (2019), we model the low‐rank process using a Gaussian predictive process (GPP) and the residual process as a sparsity‐inducing nearest‐neighbor Gaussian process (NNGP). A key contribution here is to implement these models using exact conjugate Bayesian modeling to avoid expensive iterative algorithms. Through the simulation studies, we evaluate performance of the proposed approach and the robustness of our models, especially for long range prediction. We implement our approaches for remotely sensed light detection and ranging (LiDAR) data collected over the US Forest Service Tanana Inventory Unit (TIU) in a remote portion of Interior Alaska.
Molecular engineering of sulfur‐providing materials for optimized sulfur conversion in Li‐S chemistry
Authors: Jiao Long , Li Heng , Zhang Chen , Jiang Hao , Yang Shuo , Shu Dengkun , Li Chenyang , Cheng Bowen , Yang Quanhong , Zhang Wenjun
Published: August 2022

The practical implementation of lithium‐sulfur (Li‐S) batteries is greatly hampered by the low sulfur utilization and limited battery lifespan stemming from the complexity of the sulfur conversion reactions. As a core element in Li‐S chemistry, the intrinsic physiochemical properties of sulfur have predominant impacts on the final battery performance, and thus rational engineering of its structure at the molecular level may provide ample possibilities to optimize the sulfur conversion behaviors and hence to promote the commercialization of Li‐S technology. This review summarizes the recent advancements in tailoring the electrochemical performance of Li‐S batteries through engineering the molecular structures of sulfur‐providing materials themselves, such as by heteroatom doping, skeleton grafting, and construction of polysulfides‐based functional intermediates. Some new‐type inorganic sulfur‐equivalent active molecules with beneficial electrochemical properties for cathode application are also included. Finally, the perspectives on the challenges of molecular engineering of sulfur for achieving advanced Li‐S batteries are discussed.

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RETRACTED: Medical data quality management using butterfly optimization with adaptive threshold sensitive energy‐efficient routing protocol and multidimensional chaotic blowfish encryption in wireless body networks
Authors: Santhalakshmi M. , Kavitha P.
Published: August 2022

Nowadays, medical applications require much medical information to analyze various diseases. To collect various medical data, wearable devices collect patient health and medical details using a wireless body area network. The collected details consist of several critical details: oxygen level, heart attack information, blood pressure, airflow and so forth. These details are broadcast to the healthcare centers using wireless technologies to make clinical decisions. During medical information transfer, the data quality and critical events are difficult to maintain because it reduces the packet delivery, transmission delay, and high energy. So, this article introduces bacterial optimization and adaptive threshold‐sensitive energy‐efficient routing protocol (BOATSEE) to transmit the medical data. The method aggregates the sensitive data by selecting the cluster head and effectively broadcasts the critical data. In addition, the optimized method manages the network lifetime and energy using an energy‐efficient method. Also, we have proposed a multidimensional chaotic blowfish encryption (MCBE) algorithm to enhance the system's security. Then the system's efficiency is computed based on metrics like energy consumption, packet delivery ratio, end‐to‐end delay, and QoS metric‐associated restraints. The results reveal that the proposed system is efficient in managing the medical data quality with minimum energy utilization, packet loss rate, delay, and maximum packet delivery ratio when compared with the conventional approaches. Our method also proved to be more secure than the traditional systems.
Forecasting variance swap payoffs
Authors: Dark Jonathan , Gao Xin , van der Heijden Thijs , Nardari Federico
Published: August 2022

We investigate the predictability of payoffs from selling variance swaps on the S&P500, US 10‐year treasuries, gold, and crude oil. In‐sample analysis shows that structural breaks are an important feature when modeling payoffs, and hence the ex post variance risk premium. Out‐of‐sample tests, on the other hand, reveal that structural break models do not improve forecast performance relative to simpler linear (or state invariant) models. We show that a host of variables that had previously been shown to forecast excess returns for the four asset classes, contain predictive power for ex post realizations of the respective variance risk premia as well. We also find that models fit directly to payoffs perform as well or better than models that combine the current variance swap rate with a realized variance forecast. These novel findings have important implications for variance swap sellers, and investors seeking to include volatility as an asset in their portfolio.
West Virginia v. Environmental Protection Agency: The Case and What It Means
Authors: Smead Richard G.
Published: August 2022

In July 2020, the US Supreme Court issued its landmark decision in the case West Virginia v. Environmental Protection Agency (EPA), restricting EPA's authority, independently or at the behest of the President, to promulgate new regulations in certain circumstances. In this specific case, the Court's decision involved the Obama‐era “Clean Power Plan” (CPP), which required substantial changes to reduce greenhouse gas (GHG) emissions from electric generation resources, and its potential successor under the Biden Administration. The ruling protects coal‐fired generation from being eliminated by regulators (although as we have already seen, ordinary market forces favoring natural gas did the job instead). As a result, industries and political factions that would like to see EPA regulation reined in are, shall we say, pretty happy.
Lithofacies and reservoirs in sequence stratigraphic framework of Lower Palaeozoic carbonate, offshore Bohai Bay Basin, eastern China
Authors: Ye Tao , Chen Anqing , Niu Chengming , Luo Jian , Hou Mingcai
Published: August 2022

A set of marine carbonates was deposited in the Palaeozoic of the North China Craton, which is the dominant sequence for buried hill hydrocarbon exploration. This study focuses on the lithofacies and reservoirs developed in the sequence. Based on the data of cores, thin sections, drilling, and logging, the characteristics of the sequence stratigraphic framework and its control on lithofacies and reservoirs of the Lower Palaeozoic buried hills in the offshore Bohai Bay Basin are discussed. The results show that there developed 4 second‐order sequences and 21 third‐order sequences in the study area. Due to the deep burial depth, the dolomite is more likely to form high‐quality reservoirs than limestone in the study area, and we define the dolomitic tidal flat‐dominant sequences as ‘favorable reservoir sequences’. There developed unconformity‐related reservoirs and inner reservoirs in the buried hill, and the ‘favourable reservoir sequences’ present obvious control on both reservoirs, showing: (i) ‘favourable reservoir sequences’ and weathering interface control on the scale of the unconformity‐related reservoir jointly, and (ii) the inner reservoirs developed within ‘favourable reservoir sequences’ as well, and the top and bottom of the high‐frequency sequences are the predominant areas for the bedding karst reservoir distribution.