bluuebunny/crossref_metadata_2025 huggingface dataset:
Novel C3B/SiC2 Heterobilayer: Electro‐Optical Properties Induced by Different Interlayer Coupling
Authors: Shu Huabing
Published: October 2021

Performing first‐principles calculations, electronic and optical properties of the C3B/SiC2 heterobilayers with two stacked configurations are explored systematically. They are verified to be energetically and dynamically stable by their binding energies and phonon dispersions. Also, they possess moderate bandgaps and intrinsic type‐II band alignment promoting the effective separation of photogenerated electron‐hole pairs. The quasi‐particle band structure and light absorbance of the C3B/SiC2 can be tuned significantly under different interlayer coupling induced by the stacking modes. They both exhibit strong optical absorbance coefficients (larger than 105 cm–1) in the energy range of near‐infrared to near‐ultraviolet light. More interestingly, the observed binding energies of excitons are as large as ≈800 meV in the C3B/SiC2, which can slow the rapid recombination of photogenerated electron‐hole pairs, thus increasing the efficiency of solar energy conversion. A power conversion efficiency of ≈18.9% can be achieved in the C3B/SiC2. These results indicate that the C3B/SiC2 heterobilayer has potential applications in the optoelectronic devices.
Alkyl‐Chain Branching of Non‐Fullerene Acceptors Flanking Conjugated Side Groups toward Highly Efficient Organic Solar Cells
Authors: Zhang Jianquan , Bai Fujin , Angunawela Indunil , Xu Xiaoyun , Luo Siwei , Li Chao , Chai Gaoda , Yu Han , Chen Yuzhong , Hu Huawei , Ma Zaifei , Ade Harald , Yan He
Published: October 2021

Side‐chain modifications of non‐fullerene acceptors (NFAs) are essential for harvesting their full potential in organic solar cells (OSC). Here, an effective alkyl‐chain‐branching approach of the Y‐series NFAs flanking meta‐substituted phenyl side groups at the outer positions is demonstrated. Compared to BTP‐4F‐PC6 with linear m‐hexylphenyl chains, two new acceptors named BTP‐4F‐P2EH and BTP‐4F‐P3EH are developed with bulkier alkyl chains branched at the β and γ positions, respectively. These branched chains result in altered molecular packing of the NFAs and afford higher open‐circuit voltage of the devices. Despite the blue‐shifted absorption of the branched‐chain NFAs, their blends with PBDB‐T‐2F enable improved short‐circuit current density for the corresponding devices owing to the more suitable phase separation and better exciton dissociation. Consequently, the OSCs based on BTP‐4F‐P2EH and BTP‐4F‐P3EH yield enhanced device performance of 18.22% and 17.57%, respectively, outperforming the BTP‐4F‐PC6‐based ones (17.22%). These results highlight that the side‐chain branching design of NFAs has great potential in optimizing molecular properties and promoting photovoltaic performance.
Variation in degree of pollen exclusion for ga1‐s unilateral cross incompatibility in temperate maize breeding populations
Authors: Boerman Nicholas A. , Lauter Adrienne N. Moran , Edwards Jode W. , Scott M. Paul
Published: October 2021

Fertilization and kernel development are crucial for breeding and agronomic production of maize (Zea mays L.), which is prone to outcrossing. Because of this tendency, a major issue for organic corn farmers is to maintain genetic purity of their crop. One way to maintain this purity is to use a unilateral cross incompatibility system such as Ga1‐s. However, lack of complete pollen exclusion has been reported in Ga1‐s heterozygotes, complicating introgression of this trait into breeding germplasm. A systematic, quantitative evaluation of pollen exclusion rates in breeding lines would greatly facilitate use of this system. The purpose of this study is to quantitatively evaluate exogenous ga1 pollen exclusion of a diverse set of Ga1‐s/ga1 F1 hybrids representing the stiff stalk and nonstiff stalk heterotic groups, and the Iowa Synthetic Corn Borer population. Differences between genotypes but not heterotic groups were observed when applying exogenous ga1 pollen onto heterozygotes possessing the same Ga1‐s allele, indicating there are epistatic interactions between Ga1‐s and modifier loci in the ga1 parents tested.
Prediction of early (4‐week) mortality in acute myeloid leukemia with intensive chemotherapy
Authors: Sasaki Koji , Kadia Tapan , Begna Kebede , DiNardo Courtney D. , Borthakur Gautam , Short Nicholas J. , Jain Nitin , Daver Naval , Jabbour Elias , Garcia‐Manero Guillermo , Bravo Guillermo Montalban , Masarova Lucia , Pierce Sherry , Konopleva Marina , Ravandi Farhad , Tefferi Ayalew , Kantarjian Hagop
Published: October 2021

The progress with intensive chemotherapy and supportive care measures has improved survival in patients with newly diagnosed acute myeloid leukemia (AML). Given the recent development of effective low intensity therapies, an optimal decision on the therapy intensity may improve survival through the avoidance of early mortality. We reviewed the outcome of 3728 patients with newly diagnosed AML who received intensive chemotherapy between August 1980 and May 2020. Intensive chemotherapy was defined as a cumulative cytarabine dose ≥ 700 mg/m2 during induction therapy. We divided the whole cohort into a training and validation group at a 3:1 ratio. The population was divided into a training (2790 patients) and a validation cohort (938 patients). The median age was 55 years (range, 15‐99). Among them, 442 patients (12%) had core‐binding factor AML. Binary logistic regression identified older age, worse performance status, hyperbilirubinemia, elevated creatinine, hyperuricemia, cytogenetic abnormalities other than CBF and ‐Y, and pneumonia as adverse prognostic factors for an early 4‐week mortality. This risk classification for early mortality was verified in the validation cohort of patients. In the validation cohort of more recently treated patients from 2000 to 2017, the 4‐week mortality rates with intensive chemotherapy were 2%, 14%, and 50% in the low‐, high‐, and very high‐risk group, respectively. The mortality rates with low intensity therapies were 3%, 9%, and 20%, respectively. The risk classification guides treatment intensity by the assessment of age, frailty, organ dysfunction, cytogenetic abnormality, and infection to avoid early mortality.
Recent Developments in Hydrodecyanation and Decyanative Functionalization Reactions
Authors: Paul Nilanjan , Patra Tuhin , Maiti Debabrata
Published: October 2021

Nitrile is one of the ubiquitous functional groups in natural products and polymer industry. It is often used as a versatile building block in synthetic chemistry. Classically, nitrile group is used for alpha functionalization, ortho−C−H activation and as a precursor for amine or carbonyl functionalities. With the development of various transition metal catalyzed methods, in the last two decades, nitrile group has emerged as a source of carbon synthons through C−CN bond activation despite of its high bond energy. In this review we have summarized all recent developments involving the carbon synthons arising from the cleavage of C−CN bonds. Depending on the fate of the carbon center after cleavage, all the reactions are classified in two major categories for the ease of discussion: 1) decyanation (removal of the nitrile group) and 2) decyanative functionalization (replacement of the nitrile group). Finally, current limitations in C−CN bond activation strategies and future prospects are discussed.
Photoinitiated anti‐Hydropentafluorosulfanylation of Terminal Alkynes
Authors: Birepinte Mélodie , Champagne Pier Alexandre , Paquin Jean‐François
Published: October 2021

A photoinitiated anti‐hydropentafluorosulfanylation of terminal alkynes using SF5Cl and (TMS)3SiH as the hydrogen atom donor is reported. This transformation generates selectively (Z)‐(1‐alken‐1‐yl)pentafluoro‐λ6‐sulfanes (Z:E : >85:15), thus allowing the preparation of this previously unknown geometrical isomer. DFT calculations highlight that the selectivity is due to the intrinsic preference of SF5‐substituted vinylic radicals to adopt a cis geometry, and to increased steric contacts during the transition structures leading to the minor (E)‐products.
Photocatalytic gem‐Difluoroolefination Reactions by a Formal C−C Coupling/Defluorination Reaction with Diazoacetates
Authors: Li Fang , Pei Chao , Koenigs Rene M.
Published: October 2021

The photolysis of diazoalkanes to conduct singlet carbene transfer reactions of colored diazoalkanes has recently attracted significant interest in organic synthesis. Herein, we describe a photocatalytic approach that allows the access of triplet carbene intermediates via energy transfer to conduct highly efficient gem‐difluoroolefination reactions with α‐trifluoromethyl styrenes. The use of a tertiary amines proved pivotal to unlock this unusual reaction pathway and to prevent undesired cyclopropanation pathways. The amine further facilitates the ultimate abstraction of fluoride to yield gem‐difluoroolefins (43 examples, up to 88 % yield), which is supported by experimental and theoretical mechanistic studies. We explored this synthesis method with a broad substrate scope, ranging from simple olefins and heterocyclic olefins towards the decoration of pharmaceutically relevant building blocks.
A Modular Access to 1,2‐ and 1,3‐Disubstituted Cyclobutylboronic Esters by Consecutive Radical Additions
Authors: Michalland Jean , Casaretto Nicolas , Zard Samir Z.
Published: October 2021

A modular approach to substituted cyclobutylboronic esters is described. It proceeds by successive intermolecular radical additions of xanthates to pinacolato 1‐cyclobutenylboronate and to pinacolato bicyclo[1.1.0]but‐1‐ylboronate. Success hinges on tuning the stability of the α‐boryl radical by exploiting the stabilizing influence of the trivalent boronic ester and the slightly destabilizing cyclobutane, which increases the σ‐character of the radical. Reductive removal of the xanthate group finally provides a range of 1,2‐ and 1,3‐disubstituted cyclobutylboronic esters. The contrast with cyclopropylboronic esters is striking, since the strong destabilization by the highly strained cyclopropane ring allows the first radical addition to take place but not the second. Furthermore, the first adducts are geminal xanthyl boronic esters that can be converted into cyclobutanones. This chemistry furnishes cyclobutylboronic esters that would be quite difficult to obtain otherwise and thus complements existing methods.
Electroactive phase enhancement in poly(vinylidene fluoride‐hexafluoropropylene)/polycarbonate blends by hybrid nanofillers
Authors: Torabi Atefeh , Jafari Seyed Hassan , Khonakdar Hossein Ali , Goodarzi Vahabodin , Yu Liyun , Skov Anne Ladegaard
Published: October 2021

Electroactive β phase content of poly(vinylidene fluoride‐hexafluoropropylene) (PHP) was enhanced by blending approach with polycarbonate (PC) combined with application of barium titanate–multi‐walled carbon nanotubes (BT–MWCNT) hybrid nanofillers to boost the dielectric performance of PHP. The samples were melt‐blended at 90/10 and 70/30 wt% (PHP/PC) in the presence of BT and/or MWCNT. Scanning electron microscopic (SEM) results indicated compatibilization of the structure by adding BT or MWCNT; however, the best refinement in morphology was obtained in (90/10)/1.5/1.5 (PHP/PC)/BT/MWCNT nanocomposite. Transmission electron microscopy (TEM) micrographs illustrated the selective localization of BT at PHP and MWCNT at PC while some of both nanofillers were found at the interphase. Fourier transform infrared spectroscopy and X‐ray diffraction analysis results depicted the increase in β/α ratio of the nanocomposites with a synergistic effect in (90/10)/1.5/1.5 nanocomposite, attributed to the combined utilization of BT and MWCNT and their selective localization in the PHP/PC immiscible blends. Differential scanning calorimetry analysis substantiated the nucleating effects of BT and MWCNT and consistency with SEM and TEM observations in nanofillers selective localization. The findings of this work suggest that simultaneous introduction of ceramic and conductive nanofillers with their selective localization in PHP/PC blends is efficacious in improving electroactive phase of composites at low filler content.
Oxidative stability of biodiesel: recent insights
Authors: Longanesi Luca , Pereira André P. , Johnston Nigel , Chuck Christopher J.
Published: October 2021

Biodiesel, the fatty acid methyl ester (FAME) of vegetable and animal oil, is now used extensively worldwide, with blends of up to 7% common. The blending level is still somewhat limited due to a perceived susceptibility of these fuels to oxidation. Oxidation follows a number of pathways, with the primary mechanism being auto‐oxidation, a radical process that results in the production of a range of oxygenated components. These eventually increase the viscosity of the fuel and form deposits detrimental to operation. Further fuel properties are also heavily reliant on the level of oxidation. As such, one of the main challenges in the use of biodiesel is its long‐term instability when stored. Typically synthetic anti‐oxidants have been used to address this issue; however, these systems can also add to the formation of deposits, as well as hazardous emissions, on combustion. Recently, research has focused on novel antioxidant development mainly from plant extracts, although there are a number of other routes for improved performance, including the commercialization of hydrogenated vegetable oil (HVO), a prominent alternative to FAME‐based biodiesel due to its higher stability, straight chain paraffin composition, and better cold flow properties. In this review, the factors that promote this oxidation are presented, including molecular composition, metal contamination, temperature and light exposure, as well as the latest findings on the inclusion of HVO, the current state‐of‐the‐art analytical techniques employed, and the impact of higher pressure injection systems on vehicles that demonstrate deposit formation is not solely due to the unsaturated biodiesel components. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd
Contextual analysis of the biofuel sector in Ethiopia: a comprehensive review focusing on sustainability
Authors: Yimam Abubeker
Published: October 2021

This study presents a contextual analysis of the sustainable development of the biofuel sector in Ethiopia. Biofuel development is one of the foremost priorities in the growth and transformation plan adopted by the country. The aim is to focus on the production of bioethanol and biodiesel from crops, including, but not limited to, sugar cane, jatropha, castor, and palm. Ethanol production is currently linked with the government sugar estates and biodiesel production strategy is initially targeted to be focused on private investment. Ethiopia has been producing bioethanol from molasses, a sugar by‐product, for more than 30 years. Despite the ambitious government strategy in place, the development of biofuel in Ethiopia remains limited. Hence, the current review presents the policies and strategies that have a direct or indirect influence on factors related to biofuel development in Ethiopia. A strengths, weaknesses, opportunities, and threats (SWOT) analysis of biofuel development in the country is presented. Important factors, including feedstock production, market deployment, social acceptance, and policies, were taken into consideration in this analysis. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd
Morphological landscapes from high content imaging reveal cytokine priming strategies that enhance mesenchymal stromal cell immunosuppression
Authors: Andrews Seth H. , Klinker Matthew W. , Bauer Steven R. , Marklein Ross A.
Published: October 2021

Successful clinical translation of mesenchymal stromal cell (MSC) products has not been achieved in the United States and may be in large part due to MSC functional heterogeneity. Efforts have been made to identify “priming” conditions that produce MSCs with consistent immunomodulatory function; however, challenges remain with predicting and understanding how priming impacts MSC behavior. The purpose of this study was to develop a high throughput, image‐based approach to assess MSC morphology in response to combinatorial priming treatments and establish morphological profiling as an effective approach to screen the effect of manufacturing changes (i.e., priming) on MSC immunomodulation. We characterized the morphological response of multiple MSC lines/passages to an array of Interferon‐gamma (IFN‐γ) and tumor necrosis factor‐⍺ (TNF‐⍺) priming conditions, as well as the effects of priming on MSC modulation of activated T cells and MSC secretome. Although considerable functional heterogeneity, in terms of T‐cell suppression, was observed between different MSC lines and at different passages, this heterogeneity was significantly reduced with combined IFN‐γ/TNF‐⍺ priming. The magnitude of this change correlated strongly with multiple morphological features and was also reflected by MSC secretion of immunomodulatory factors, for example, PGE2, ICAM‐1, and CXCL16. Overall, this study further demonstrates the ability of priming to enhance MSC function, as well as the ability of morphology to better understand MSC heterogeneity and predict changes in function due to manufacturing.
Simultaneous determination of nicotinamide and N1‐methylnicotinamide in human serum by LC–MS/MS to associate their serum concentrations with obesity
Authors: Chu Jihong , Liu Ming , Dai Guoliang , Li Changyin , Wu Ting , Zou Jiandong , Ju Wenzheng , Xu Meijuan
Published: October 2021

A rapid and sensitive LC–MS/MS method was developed and validated for the simultaneous determination of nicotinamide and its metabolite N1‐methylnicotinamide in human serum. Serum samples were prepared by protein precipitation with acetonitrile. The chromatographic separation was performed on a Waters Spherisorb S5 CN microbore column (2.0 × 100 mm, 5 μm) with gradient elution within 7 min. Acetonitrile and 5 mm ammonium formate aqueous solution (containing 0.1% formic acid) were used as mobile phases. Nicotinamide, N1‐methylnicotinamide and N′‐methylnicotinamide (internal standard) were detected with a triple‐quadrupole tandem mass spectrometer in the positive ion mode. Multiple reaction monitoring was used to monitor precursor to product ion transitions of m/z 123.1 → 80.1 for nicotinamide, m/z 137.1 → 94.1 for N1‐methylnicotinamide and m/z 137.1 → 80.1 for the internal standard. The linear ranges of nicotinamide and N1‐methylnicotinamide were 5.000–160.0 and 2.500–80.00 ng/ml, respectively. The intra‐ and inter‐day precisions (RSD) of both analytes were within 6.90%. The recoveries were >88%. The analytes were proven to be stable during all sample storage, preparation and analytic procedures. The method was successfully applied to determine the concentrations of nicotinamide and N1‐methylnicotinamide in human serum to investigate the association between their concentrations and obesity in 1160 Chinese subjects.
Prevalence of amyotrophic lateral sclerosis in Latium region, Italy
Authors: Puopolo Maria , Bacigalupo Ilaria , Piscopo Paola , Lacorte Eleonora , Di Pucchio Alessandra , Santarelli Marialaura , Inghilleri Maurizio , Petrucci Antonio , Sabatelli Mario ,   the Latium Registry Group, Vanacore Nicola
Published: October 2021

Objective

Prevalence estimate of amyotrophic lateral sclerosis (ALS) ranged between 1.1/100,000 and 11.2/100,000 inhabitants with different design of the study (prospective or retrospective) and sample size. The aim of this study is to conduct for the first time an estimate of the ALS prevalence in the Latium region.

Materials and methods

The study was performed in Latium, a region located in the center of Italy, with a population, as of January 1, 2016, of 5888.472 inhabitants. In this region, a network of 15 clinical centers (of which 4 referral ALS centers are located in Rome) and 10 local health authorities involved in the diagnosis and treatment of ALS patients has been identified. Each patient was classified according to the El Escorial revised criteria.

Results

The prevalence study in 2016 identified 353 ALS cases (200 males). By considering population aged >=20 years, the total crude prevalence rate resulted 7.33 (CI95% 6.59–8.14) × 100,000 and 8.75 and 6.05 in males and females, respectively. Age‐specific prevalence rates did not differ among males and females in the population aged less than 49 years. The difference emerged in population aged > 50 years. This type of diagnosis was recorded for 343 patients (11 missing). 68% of these patients have a definite diagnosis, 14% likely, 11% possible, and 12% defined as suspect.

Conclusions

The estimate of prevalence rates observed in this study is probably in line with the values reported in the literature for prospective prevalence studies.
Thermal Annealing‐Enhanced Bioelectrocatalysis in Membraneless Glucose/Oxygen Biofuel Cell based on Hydrophilic Carbon Fibers
Authors: Li Gangyong , Li Zhi , Xu Cuixing , Hou Zhaohui , Hu Zongqian
Published: October 2021

The electrode material is a pivotal component in achieving efficient electron transfer in an enzymatic biofuel cell (EBFC). Herein, novel hydrophilic carbon fibers (HCFs) with a helical structure are synthesized through chemical vapor deposition and are used as an electrode material for the immobilization of biocatalysts to fabricate bioelectrodes, where glucose dehydrogenase, serving as the anodic enzyme, is co‐immobilized with 1,4‐naphthoquinone on the HCFs for the catalysis of the glucose oxidation reaction (GOR), and bilirubin oxidase, as the cathodic enzyme, is co‐immobilized with protoporphyrin IX for the catalysis of the oxygen reduction reaction (ORR). It is found that thermal annealing the HCFs improves the bioelectrocatalytic performances of the as‐fabricated bioanode for the GOR and biocathode for the ORR, owing to the enhanced electron transfer kinetics. Subsequently, a membraneless glucose/O2 EBFC assembled by using the as‐synthesized bioelectrodes is able to generate a high open circuit voltage of 0.8 V and a maximum power density of 0.7 mW cm−2 at 0.44 V with good operational stability. The practicability in fabricating membraneless EBFCs makes the synthesized HCFs promising in miniature bioenergy devices.
Biomass‐Derived, Nitrogen‐Rich Carbon Tubes as Anodes for Sodium‐Ion Hybrid Capacitors
Authors: Wang Dong , Wang Pengfei , Lu Borong , Ye Ke , Zhu Kai , Wang Qian , Yan Jun , Wang Guiling , Cao Dianxue
Published: October 2021

Sodium‐ion hybrid capacitors (SIHCs) are considered a prospective alternative to lithium‐ion batteries (LIBs) since there are rich and available sodium reserves. Here, nitrogen‐doped carbon tubes (N‐MJ) derived from metaplexis japonica fluff are prepared by using a facile method of etching and peeling the fluff with urea to prepare a Na+ storage anode. With prominent traits in terms of structure and a high nitrogen content (11.08 %), N‐MJ exhibits exceptional Na+ storage performance with a high reversible capacity (390.9 mAh g−1 at 50 mA g−1) and excellent long‐term circulation (208.1 mAh g−1 after 2650 cycles at 1 A g−1). Systemic kinetic analysis manifests that the extraordinary performance is responsible for the large‐scale capacitance control. Furthermore, the SIHCs assembled by using N‐MJ and activated carbon (AC) presents a maximum energy density of 111.4 Wh kg−1 (at 445.8 W kg−1) and power density of 2455.2 W kg−1 (at 34.1 Wh kg−1). Notably, the developed SIHCs maintain a 100 % capacity retention rate at 1 A g−1 after 5000 cycles. Overall, our work not only provides a good choice for storage Na+ anode materials, but also supplies a feasible method for the recycling of waste biomass.
CaMn7O12 Quadruple Perovskite Oxides Proceed by Two‐Active‐Site Reaction Mechanism for the Oxygen Evolution Reaction
Authors: Ren Yadan , Kashihara Kodai , Uchiyama Tomoki , Orikasa Yuki , Watanabe Toshiki , Yamamoto Kentaro , Takami Tsuyoshi , Matsunaga Toshiyuki , Nishiki Yoshinori , Mitsushima Shigenori , Uchimoto Yoshiharu
Published: October 2021

The oxygen evolution reaction (OER) is one of the essential energy conversion reactions for hydrogen production. In quadruple perovskite oxides AA’3B4O12 (A=Ca, Sr, A’=Cu, Mn and B=3d metals), the new reaction mechanism of O−O bond formation between adsorbed oxygen species at adjacent A’‐B sites has been proposed in recent studies. This idea of multiple transition metals working together to form an active site, rather than a single active site, is appealing, but has not been systematically investigated so far. This study examined catalytic OER performances of CaMn7O12 quadruple perovskite oxides with precisely controlled Mn(A′)−Mn(B) distance by doping with Sr, Cu and Al. The crystal structure and the state of cations and O were investigated through XRD with Rietveld refinement and X‐ray absorption spectroscopy. The OER catalytic activity is clearly correlated with the distance of Mn(A’)−Mn(B) while both eg state of Mn and O 2p band center unchanged. The shrinkage of the A’‐B distance affects the stability of O−O bond on A’‐B site and accelerates OER kinetics.
Dual‐Salt Electrolyte with Synergistic Effect for Lithium Metal Batteries with Prolonging Cyclic Performance
Authors: Jiang Bo , Xu Honghui , Cheng Xiangming , Li Jiong , Wang Helong , Liu Yangyang
Published: October 2021

Along with the booming development of human society, the commercial lithium‐ion battery cannot satisfy increasing energy demand for the insufficient energy density, which is attributed to the limited theoretical capacity (372 mAh g−1) of graphite anode. Logically, lithium (Li) metal, which can deliver ultrahigh theoretical capacity of 3860 mAh g−1 and lowest electrochemical potential of −3.04 V versus standard hydrogen electrode, is regarded as the “holy grail” for next‐generation energy storage systems with high energy density. Nevertheless, the practical application of Li metal batteries is hampered by low Coulombic efficiency and poor cyclic performance caused by the dendritic electrodeposition. Herein, a kind of novel carbonate‐based electrolyte with a dual‐salt of hexafluorophosphate (LiPF6) and lithium borate difluoroxalate (LiDFOB) for stable Li anode is designed and demonstrated. The introduction of LiDFOB can not only uniform electrodeposition of Li to promote Coulombic efficiency and cycle stability, but also can suppress decomposition of LiPF6 to passivate cathode surfaces. Taking this synergistic effect, Li metal batteries with the high‐capacity ternary cathode of LiNi0.8Co0.1Mn0.1O2 (NMC811) exhibits outstanding cyclic performance with high‐rate capability. Encouragingly, the posted electrolyte is expected to foster the commercial application of Li metal batteries for pursuing high‐energy density.
Automated annotations of epithelial cells and stroma in hematoxylin–eosin‐stained whole‐slide images using cytokeratin re‐staining
Authors: Brázdil Tomáš , Gallo Matej , Nenutil Rudolf , Kubanda Andrej , Toufar Martin , Holub Petr
Published: October 2021

The diagnosis of solid tumors of epithelial origin (carcinomas) represents a major part of the workload in clinical histopathology. Carcinomas consist of malignant epithelial cells arranged in more or less cohesive clusters of variable size and shape, together with stromal cells, extracellular matrix, and blood vessels. Distinguishing stroma from epithelium is a critical component of artificial intelligence (AI) methods developed to detect and analyze carcinomas. In this paper, we propose a novel automated workflow that enables large‐scale guidance of AI methods to identify the epithelial component. The workflow is based on re‐staining existing hematoxylin and eosin (H&E) formalin‐fixed paraffin‐embedded sections by immunohistochemistry for cytokeratins, cytoskeletal components specific to epithelial cells. Compared to existing methods, clinically available H&E sections are reused and no additional material, such as consecutive slides, is needed. We developed a simple and reliable method for automatic alignment to generate masks denoting cytokeratin‐rich regions, using cell nuclei positions that are visible in both the original and the re‐stained slide. The registration method has been compared to state‐of‐the‐art methods for alignment of consecutive slides and shows that, despite being simpler, it provides similar accuracy and is more robust. We also demonstrate how the automatically generated masks can be used to train modern AI image segmentation based on U‐Net, resulting in reliable detection of epithelial regions in previously unseen H&E slides. Through training on real‐world material available in clinical laboratories, this approach therefore has widespread applications toward achieving AI‐assisted tumor assessment directly from scanned H&E sections. In addition, the re‐staining method will facilitate additional automated quantitative studies of tumor cell and stromal cell phenotypes.
The Impact of the CYP2D6 “Enhancer” Single Nucleotide Polymorphism on CYP2D6 Activity
Authors: Dinh Jean C. , Boone Erin C. , Staggs Vincent S. , Pearce Robin E. , Wang Wendy Y. , Gaedigk Roger , Leeder James Steven , Gaedigk Andrea
Published: October 2021

rs5758550 has been associated with enhanced transcription and suggested to be a useful marker of CYP2D6 activity. As there are limited and inconsistent data regarding the utility of this distant “enhancer” single nucleotide polymorphism (SNP), our goal was to further assess the impact of rs5758550 on CYP2D6 activity toward two probe substrates, atomoxetine (ATX) and dextromethorphan (DM), using in vivo urinary metabolite (DM; n = 188) and pharmacokinetic (ATX; n = 70) and in vitro metabolite formation (ATX and DM; n = 166) data. All subjects and tissues were extensively genotyped, the “enhancer” SNP phased with established CYP2D6 haplotypes either computationally or experimentally, and the impact on CYP2D6 activity investigated using several linear models of varying complexity to determine the proportion of variability in CYP2D6 activity captured by each model. For all datasets and models, the “enhancer” SNP had no or only a modest impact on CYP2D6 activity prediction. An increased effect, when present, was more pronounced for ATX than DM suggesting potential substate‐dependency. In addition, CYP2D6*2 alleles with the “enhancer” SNP were associated with modestly higher metabolite formation rates in vitro, but not in vivo; no effect was detected for CYP2D6*1 alleles with “enhancer” SNP. In summary, it remains inconclusive whether the small effects detected in this investigation are indeed caused by the “enhancer” SNP or are rather due to its incomplete linkage with other variants within the gene. Taken together, there does not appear to be sufficient evidence to warrant the “enhancer” SNP be included in clinical CYP2D6 pharmacogenetic testing.
Morphogen regulation of stem cell plasticity in intestinal regeneration and carcinogenesis
Authors: Eggington Holly R. , Mulholland Eoghan J. , Leedham Simon J.
Published: October 2021

The intestinal epithelium is a tissue with high cell turnover, supported by adult intestinal stem cells. Intestinal homeostasis is underpinned by crypt basal columnar stem cells, marked by expression of the LGR5 gene. However, recent research has demonstrated considerable stem cell plasticity following injury, with dedifferentiation of a range of other intestinal cell populations, induced by a permissive microenvironment in the regenerating mucosa. The regulation of this profound adaptive cell reprogramming response is the subject of current research. There is a demonstrable contribution from disruption of key homeostatic signaling pathways such as wingless‐related integration site and bone morphogenetic protein, and an emerging signaling hub role for the mechanoreceptor transducers Yes‐associated protein 1/transcriptional coactivator with PDZ‐binding motif, negatively regulated by the Hippo pathway. However, a number of outstanding questions remain, including a need to understand how tissues sense damage, and how pathways intersect to mediate dynamic changes in the stem cell population. Better understanding of these pathways, associated functional redundancies, and how they may be both enhanced for recovery of inflammatory diseases, and co‐opted in neoplasia development, may have significant clinical implications, and could lead to development of more targeted molecular therapies which target individual stem or stem‐like cell populations.
The longitudinal relationship between set‐shifting at 4 years of age and eating disorder related features at 9 years of age in the general pediatric population
Authors: Steegers Cathelijne , Dieleman Gwen , Moskalenko Valeria , Santos Susana , Hillegers Manon , White Tonya , Jansen Pauline W.
Published: October 2021

Background

Individuals with anorexia nervosa (AN) tend to have rigid thoughts and behaviors regarding their body weight, body image, and eating habits. While a diagnosis of AN implies severe levels of impairment, AN traits can vary on a continuum within the population. However, little is known about how early markers of AN relate to rigid thought patterns and to what extent cognitive rigidity is already present in early childhood. We examined the association of set‐shifting abilities as a measure of cognitive flexibility in preadolescents with AN‐related features.

Methods

Participants included 3,987 children participating in the Generation R Study, a Dutch population‐based birth cohort. Set‐shifting abilities (mother report) were assessed at 4 years of age, body mass index (BMI) was determined at 4 and 9 years and restrictive eating patterns (mother report) and body image (child report) were assessed at 9 years.

Results

Lower set‐shifting abilities at 4 years were associated with a lower BMI (β = −.44, p = 2.2 × 10−4) in girls, and more restrictive eating (β = 0.15, p = 2.7 × 10−6) in both boys and girls at 9 years of age. Moreover, set‐shifting at age 4 was not associated with body image at age 9.

Conclusion

These findings contribute to the idea that the association between set‐shifting problems and AN‐related features are present early in childhood, prior to the typical range of the onset of eating disorders (EDs). Longitudinal studies that capture the peak age for the development of EDs will be important to assess whether early cognitive inflexibility is an early marker of AN.
Current Progress and Future Perspectives of Electrolytes for Rechargeable Aluminum‐Ion Batteries
Authors: Ma Dongwei , Yuan Du , Ponce de León Carlos , Jiang Zheng , Xia Xin , Pan Jiahong
Published: October 2021

Aluminum‐ion batteries (AIBs) with Al metal anode are attracting increasing research interest on account of their high safety, low cost, large volumetric energy density (≈8046 mA h cm−3), and environmental friendliness. Specifically, the reversible Al electrostripping/deposition is achieved with the rapid development of room temperature ionic liquids, and rapid progress has been made in fabricating high‐performance and durable AIBs during the past decade. This review provides an integrated comprehension of the evolution of AIBs and highlights the development of various non‐aqueous and aqueous electrolytes including high‐temperature molten salts, room temperature ionic liquids, and gel–polymer electrolytes. The critical issues on the interplay of electrolytes are outlined in terms of the voltage window span, the effective ion species during charge storage (Al3+ or ) and their underlying charge transfer (e.g., interfacial transfer and diffusion), and the solid electrolyte interface formation and its role. Following the critical insight, future perspectives on how to practically design feasible AIBs are given.
Visible‐Light‐Mediated Ring‐Opening Reactions of Cyclopropanes
Authors: Sivanandan Sudheesh T. , Bharath Krishna R. , Baiju Thekke V. , Mohan Chithra
Published: October 2021

Due to the high reactivity of cyclopropanes, different methods have been developed for their stereo‐ and regio‐controlled ring‐opening reactions to achieve a variety of synthetically useful targets. The traditional methods for the ring‐opening include thermolysis, use of oxidants, transition metals or radical precursors in which many of them encounter various difficulties. In the past several years, visible‐light‐mediated photoredox reactions received considerable attention for various organic transformations. Several methodologies have been developed in recent times for the visible‐light‐mediated ring‐opening reactions of cyclopropanes. Considering the synthetic potential of this class of reactions, we provide a summary of various methodologies developed for the cyclopropane ring‐opening reactions under visible‐light photoredox catalysis.
2‐Pyrone – A Privileged Heterocycle and Widespread Motif in Nature
Authors: Dobler Daniel , Leitner Michael , Moor Natalija , Reiser Oliver
Published: October 2021

The 2‐pyrone moiety can be found in a large number of natural products with a wide range of biological activities, including antibiotic, antifungal, cytotoxic, neurotoxic, phytotoxic, anti‐inflammatory and cardiotonic effects. With its heterocyclic structure encompassing the chemical nature of conjugated dienes, lactones, Michael acceptors and arenes, it can undergo a great variety of transformations such as cycloadditions, ring‐opening reactions, cross‐couplings and lactamizations. Thus, 2‐pyrones represent valuable synthetic precursors and worthwhile targets in organic, polymer, and medical chemistry. Owing to its exquisite chemical and physical properties, the synthesis and further transformations of 2‐pyrones have attracted considerable attention over the past decade, showcasing transition metal and metal free strategies and using readily available starting materials, notably those stemming from renewable resources.
Design of a synthesis‐friendly hypoxia‐responsive promoter for cell‐based therapeutics
Authors: Lam Chee Ka Candice , Truong Kevin
Published: October 2021

Towards the goal of making ‘smart’ cell therapies, one that recognizes disease conditions (e.g. hypoxia) and then produces mitigating biologics, it is important to develop suitable promoters. Currently, hypoxia responsive promoters are composed of strongly repeated sequences containing hypoxia response elements upstream of a minimal core promoter. Unfortunately, such repeated sequences have inherent genomic instability that may compromise the long‐term consistency of cell‐based therapeutics. Thus, we designed a synthesis‐friendly hypoxia‐inducible promoter (named SFHp) that has GC content between 25% and 75% and no repeats greater than 9 base pairs. In HEK293 cells stably integrated with genes regulated by synthetic SFHp, we demonstrated inducible reporter expression with fluorescent proteins, cell morphology rewiring with our previously engineered RhoA protein and intercellular cell signalling with secreted cytokines. These experiments exemplify the potential usage of SFHp in cell‐based therapeutics with integrated genetic circuits that inducibly respond to the disease microenvironment.
Improving carotenoid production in recombinant yeast, Saccharomyces cerevisiae, using ultrasound‐irradiated two‐phase extractive fermentation
Authors: Yamada Ryosuke , Ando Yorichika , Mitsui Ryosuke , Mizobata Asuka , Yoshihara Shizue , Tokumoto Hayato , Matsumoto Takuya , Ogino Hiroyasu
Published: October 2021

Carotenoids are hydrophobic compounds that exhibit excellent bioactivity and can be produced by recombinant S. cerevisiae. Irradiating microorganisms with ultrasonic waves increase the productivity of various useful chemicals. Ultrasonic waves are also used to extract useful chemicals that accumulate in microbial cells. In this study, we aimed to improve the carotenoid production efficiency of a recombinant S. cerevisiae using an ultrasonic‐irradiation based two‐phase extractive fermentation process. When isopropyl myristate was used as the extraction solvent, a total of 264 mg/L of carotenoid was produced when batches were subjected to ultrasonic‐irradiation at 10 W, which was a 1.3‐fold increase when compared to the control. Transcriptome analysis suggested that one of the reasons for this improvement was an increase in the number of living cells. In fact, after 96 h of fermentation, the number of living cells increased by 1.4‐fold upon irradiation with ultrasonic waves. Consequently, we succeeded in improving the carotenoid production in a recombinant S. cerevisiae strain using a ultrasonic‐irradiated two‐phase extractive fermentation and isopropyl myristate as the solvent. This fermentation strategy has the potential to be widely applied during the production of hydrophobic chemicals in recombinant yeast, and future research is expected to further develop this process.
Optimization of Hole Transport Layer Materials for a Lead‐Free Perovskite Solar Cell Based on Formamidinium Tin Iodide
Authors: Rono Nicholas , Merad Abdelkrim E. , Kibet Joshua K. , Martincigh Bice S. , Nyamori Vincent O.
Published: October 2021

Recently, lead‐based perovskite solar cells have been mainly studied; however, these cells suffer from two main problems: the toxicity of lead and the instability of the devices, which limit their commercialization. Herein, a theoretical investigation of a lead‐free perovskite solar cell based on formamidinium tin iodide (HC(NH2)2SnI3) with the general architecture: glass/FTO/WS2/HC(NH2)2SnI3/HTL/Au is reported. All calculations are performed with the SCAPS‐1D solar cell simulator. Two inorganic (CuSCN and Cu2O) and two organic (P3HT and D‐PBTTT‐14) hole transport layer (HTL) materials are tested in this model. The effect of the external operating temperature and different metal work functions of the back contact of the cell on the overall performance of the devices is also studied. Simulations showed that, with the introduction of CuSCN, Cu2O, and P3HT as HTLs, the device can attain a remarkable efficiency of ≈21%. All the modeled devices showed remarkable performance of above 20% at higher temperatures of 380–420 K but degraded slightly when this range is exceeded. Relatively cheaper Pt, Ni, and Pd metals perform better, thus, can replace gold. These simulation results can provide avenues and directions for future advancement of the performance of lead‐free perovskite solar cells.
Passive daytime radiative cooling: Fundamentals, material designs, and applications
Authors: Chen Meijie , Pang Dan , Chen Xingyu , Yan Hongjie , Yang Yuan
Published: October 2021

Passive daytime radiative cooling (PDRC) dissipates terrestrial heat to the extremely cold outer space without using any energy input or producing pollution. It has the potential to simultaneously alleviate the two major problems of energy crisis and global warming. In this review, we summarize general strategies implemented for achieving PDRC and various applications of PDRC technologies. We first introduce heat transfer processes involved in PDRC, including radiative and nonradiative heat transfer processes, to evaluate the PDRC performance. Subsequently, we summarize the general material designs used for controlling PDRC performance, such as tuning the thermal mid‐infrared emittance and solar reflectance. Finally, we discuss the diverse applications of PDRC technologies to overcome problems in space cooling, solar cell cooling, water harvesting, and electricity generation.

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Molybdenum‐based heterogeneous catalysts for the control of environmental pollutants
Authors: Ji Jiahui , Bao Yan , Liu Xinyue , Zhang Jinlong , Xing Mingyang
Published: October 2021

Molybdenum (Mo)‐based materials with abundant electronic properties have been extensively studied in terms of environmental pollutant control. In photocatalysis, thermal catalysis, electrocatalysis, Fenton or Fenton‐like reactions, and other technical means, the properties of different Mo‐based materials have been fully exerted. In this review, the latest developments in Mo‐based materials in the control of water and air pollutants are summarized. In addition, possible methods are discussed to enhance the activity of Mo‐based materials to provide the direction for the design of highly efficient Mo‐based catalysts in the future.

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MXenes as a versatile platform for reactive surface modification and superior sodium‐ion storages
Authors: Wang Jinjin , Du Cheng‐Feng , Xue Yaqing , Tan Xianyi , Kang Jinzhao , Gao Yan , Yu Hong , Yan Qingyu
Published: October 2021

Owing to the large surface area and adjustable surface properties, the two‐dimensional (2D) MXenes have revealed the great potential in constructing hybrid materials and for Na‐ion storage (SIS). In particular, the facilitated Na‐ion adsorption, intercalation, and migration on MXenes can be achieved by surface modification. Herein, a new surface modification strategy on MXenes, namely, the reactive surface modification (RSM), is focused and illustrated, while the recent advances in the research of SIS performance based on MXenes and their derivatives obtained from the RSM process are briefly summarized as well. In the second section, the intrinsic surface chemistries of MXenes and their surface‐related physicochemical properties are first summarized. Meanwhile, the close relationship between the surface characters and the Na‐ion adsorption, intercalation, and migration on MXenes is emphasized. Following the SIS properties of MXenes, the surface‐induced SIS property variations, and the SIS performance of RSM MXene‐based hybrids are discussed progressively. Finally, the existing challenges and prospects on the RSM MXene‐based hybrids for SIS are proposed.
The impact of the hypoxia‐VEGF‐vascular permeability on COVID‐19‐infected patients
Authors: Cao Yihai
Published: October 2021

Effective treatment of patients with severe COVID‐19 to reduce mortality remains one of the most challenging medical issues in controlling unpredictable emergencies caused by the global pandemics. Unfortunately, such effective therapies are not available at this time of writing. In this article, I discuss the possibility of repurposing clinically available anti‐VEGF (vascular endothelial growth factor) drugs that are routinely used in oncology and ophthalmology areas for effective treatment of patients with severe and critical COVID‐19. Our preliminary findings from a clinical trial support the therapeutic concept of using anti‐VEGF for treating patients with severe COVID‐19 to reduce mortality. The aim of this article is to further provide mechanistic insights into the role of VEGF in causing pathological changes during COVID‐19 infection.