bluuebunny/crossref_metadata_2025 huggingface dataset:
Selective Antisite Defect Formation in WS2 Monolayers via Reactive Growth on Dilute W‐Au Alloy Substrates
Authors: Wang Kai , Zhang Lizhi , Nguyen Giang D. , Sang Xiahan , Liu Chenze , Yu Yiling , Ko Wonhee , Unocic Raymond R. , Puretzky Alexander A. , Rouleau Christopher M. , Geohegan David B. , Fu Lei , Duscher Gerd , Li An‐Ping , Yoon Mina , Xiao Kai
Published: November 2021

Defects are ubiquitous in 2D materials and can affect the structure and properties of the materials and also introduce new functionalities. Methods to adjust the structure and density of defects during bottom‐up synthesis are required to control the growth of 2D materials with tailored optical and electronic properties. Here, the authors present an Au‐assisted chemical vapor deposition approach to selectively form SW and S2W antisite defects, whereby one or two sulfur atoms substitute for a tungsten atom in WS2 monolayers. Guided by first‐principles calculations, they describe a new method that can maintain tungsten‐poor growth conditions relative to sulfur via the low solubility of W atoms in a gold/W alloy, thereby significantly reducing the formation energy of the antisite defects during the growth of WS2. The atomic structure and composition of the antisite defects are unambiguously identified by Z‐contrast scanning transmission electron microscopy and electron energy‐loss spectroscopy, and their total concentration is statistically determined, with levels up to ≈5.0%. Scanning tunneling microscopy/spectroscopy measurements and first‐principles calculations further verified these antisite defects and revealed the localized defect states in the bandgap of WS2 monolayers. This bottom‐up synthesis method to form antisite defects should apply in the synthesis of other 2D materials.
Resonance‐Mediated Dynamic Modulation of Perovskite Crystallization for Efficient and Stable Solar Cells
Authors: Xu Ligang , Wu Di , Lv Wenxuan , Xiang Yuan , Liu Yan , Tao Ye , Yin Jun , Qian Mengyuan , Li Ping , Zhang Liuquan , Chen Shufen , Mohammed Omar F. , Bakr Osman M. , Duan Zheng , Chen Runfeng , Huang Wei
Published: November 2021

Manipulating perovskite crystallization to prepare high‐quality perovskite films is the key to achieving highly efficient and stable perovskite solar cells (PSCs). Here, a dynamic strategy is proposed to modulate perovskite crystallization using a resonance hole‐transporting material (HTM) capable of fast self‐adaptive tautomerization between multiple electronic states with neutral and charged resonance forms for mediating perovskite crystal growth and defect passivation in situ. This approach, based on resonance variation with self‐adaptive molecular interactions between the HTM and the perovskite, produces high‐quality perovskite films with smooth surface, oriented crystallization, and low charge recombination, leading to high‐performance inverted PSCs with power conversion efficiencies approaching 22% for small‐area devices (0.09 cm2) and up to 19.5% for large‐area devices (1.02 cm2). Also, remarkably high stability of the PSCs is observed, retaining over 90%, 88%, or 83% of the initial efficiencies in air with relative humidity of 40–50%, under continuous one‐sun illumination, or at 75 °C annealing for 1000 h without encapsulation.
Flexible and Wearable Optoelectronic Devices Based on Perovskites
Authors: Zhao Rudai , Gu Zhenkun , Li Pengwei , Zhang Yiqiang , Song Yanlin
Published: November 2021

Perovskites as promising photovoltaic materials have been widely investigated due to their excellent photoelectric properties. Perovskite optoelectronic devices have been applied in fields of portable energy, light monitors, image sensors, etc. In recent years, wearable perovskite optoelectronic devices have been developed for their advantages of flexibility, stretchability, and light weight. In this review, the latest development of flexible and wearable perovskite optoelectronic devices is summarized. First, the preparation methods of optoelectronic devices are introduced, especially focusing on the large‐scale fabrication. Then the latest advances of various flexible devices are presented. In particular, the stability and safety of wearable devices, as well as the impact factors and corresponding solutions are discussed. Finally, the challenges for practical applications are put forward and discussed.
Universal Experimental Methods for Evaluating the Performance of Radiative Cooling Materials
Authors: Park Gimin , Roh Kyeongman , Kim Hoon , Khan Salman , Lee Minjae , Kim Byung‐Wook , Kim Woochul
Published: November 2021

The achievable cooling temperature and cooling power of a radiative cooling material are highly affected by time, location, and environmental conditions (e.g., the amount of radiatively participating gases in the atmosphere and incident solar radiation). Such influences cause deviations in the material's performance. To introduce more universal values for the cooling temperature and cooling power, a well‐controlled setup is developed to experimentally evaluate the material's performance. In contrast to the total emissivity of the atmosphere varying from 0.409 to 0.975 with 0%–100% relative humidity, the total emissivity of the experimental setup in this study is fixed at approximately 0.001, which clearly indicates the elimination of atmospheric radiation. A solar simulator is used to replicate the solar flux at air mass 1.5. The obtained time‐dependent temperature profiles suggest that the proposed measurement setup can be utilized to evaluate the material's performance independent of time, location, and environmental conditions.
Ferroelectric Materials for Solar Energy Scavenging and Photodetectors
Authors: Zhao Xue , Song Kai , Huang Hui , Han Wei , Yang Ya
Published: November 2021

The photovoltaic devices based on ferroelectrics have drawn plenty of attention for providing a promising solar energy harvesting technology and efficient photodetectors. In this review, mainly the photoelectric properties of ferroelectric materials are introduced. First, three different types of ferroelectrics and primary representative materials are reviewed. Second, four existing principles and mechanisms of the photovoltaic effect in ferroelectrics are studied in great detail. Then, the typical design construction utilizing ferroelectrics for solar energy scavenging, photodetectors, and other photovoltaic device architectures is summarized. Lastly, the properties and characteristics of photovoltaic devices based on ferroelectrics are reviewed in the form of tables and the prospect of ferroelectric photovoltaic devices is discussed.
Advances in Electrochemical Hydrogenation Since 2010
Authors: Yang Jianjing , Qin Hongyun , Yan Kelu , Cheng Xingda , Wen Jiangwei
Published: November 2021

A commitment to developing a convenient, efficient, and safe hydrogenation strategy is one of the main focuses of industry and academia. Electrochemical hydrogenation brings greener and gentler opportunities for the selective hydrogenation of unsaturated compounds and the incorporation of deuterium atoms to desired products with traceless electrons as redox reagents in the absence of high‐pressure hydrogen. In this account, recent advances in electrochemical hydrogenation or transfer hydrogenation of unsaturated compounds since 2010 are summarized. The reaction features, limitations, substrates scopes, mechanism of these hydrogenation reactions are discussed in this review. We hope this account will contribute to future developments to broaden the scope of electrochemical hydrogenation or transfer hydrogenation.

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Highly Reversible Supramolecular Light Switch for NIR Phosphorescence Resonance Energy Transfer
Authors: Wang Conghui , Ma Xin‐Kun , Guo Peng , Jiang Chunhui , Liu Yao‐Hua , Liu Guoxing , Xu Xiufang , Liu Yu
Published: November 2021

Although purely organic room‐temperature phosphorescence (RTP) has drawn widespread attention in recent years, regulatable phosphorescence resonance energy transfer (PRET) supramolecular switch is still rare. Herein, single molecular dual‐fold supramolecular light switches, which are constructed by phenylpyridinium salts modified diarylethene derivatives (DTE‐Cn, n = 3, 5) and cucurbit[8]uril (CB[8]) are reported. Significantly, biaxial [3]pseudorotaxane displayed efficiently reversible RTP after binding with CB[8] and the phosphorescence quenching efficiency is calculated up to be 99%. Furthermore, the binary supramolecular assembly can coassemble with Cy5 to form ternary supramolecular assembly showing efficiently PRET, which is successfully applied in switchable near infrared (NIR) mitochondria‐targeted cell imaging and photocontrolled data encryption. This supramolecular strategy involving energy transfer provides a convenient approach for phosphorescent application in biology and material fields.
Metallic Ferromagnet of La0.5Sr0.5MnO3 with Negative Permittivity and Permeability
Authors: Yan Kelan , Shen Liming , Yin Feng , Qi Guicun , Zhang Xiaohong , Fan Runhua , Bao Ningzhong
Published: November 2021

Since the electromagnetic metamaterials are artificial materials with subwavelength‐scale periodic architectures, they can manipulate electromagnetic waves by exhibiting unusual properties of characteristic negative permittivity ε and permeability μ. However, their fabrication toward reducing the anisotropy for the realization of practical metamaterials is still a challenge. A homogeneous La0.5Sr0.5MnO3 with negative properties synthesized by a facile method consisting of the sol–gel method and pressure‐less sintering is proposed in this paper. By appropriately tuning eg electrons concentration, lattice symmetry, and magnetic resonance, the La0.5Sr0.5MnO3 can simultaneously achieve negative ε and μ at the frequency range of 575–650 MHz. Experimental results and theoretical simulation suggest that negative ε is attributed to the plasma oscillation of eg electrons and high lattice symmetry, whereas the magnetic resonance causes the negative μ. The enhancement is due to the reduction of the eddy current and the effective magnetic anisotropy. An important step toward the development of natural compound metamaterials is represented in this paper.
Predictive factors of outcomes in patients with AL amyloidosis treated with daratumumab
Authors: Szalat Raphael E. , Gustine Joshua , Sloan J. Mark , Edwards Camille V. , Sanchorawala Vaishali
Published: November 2021

Daratumumab as a single agent (sDARA) or in combination with chemotherapies (cDARA) leads to impressive hematologic and organ responses in AL amyloidosis. However, predictive factors associated with outcomes, and optimal duration of therapy remain unclear. We analyzed 107 patients with AL amyloidosis treated with daratumumab between 2017 and 2020. The median overall survival (OS) was not reached while the median major organ deterioration progression free survival (MOD‐PFS) was 36 months in the sDARA cohort and not reached in the cDARA cohort, respectively. Hematologic response > VGPR was achieved in 81% of patients receiving sDARA and 86% of patients treated with cDARA. Several predictive factors were identified on a univariate analysis, including NTproBNP >8500 pg/mL but only achievement of at least VGPR and presence of 1q21 gain were independently associated with MOD‐PFS and OS on a multivariate analysis. Finally, patients receiving > 12 cycles had significantly longer MOD‐PFS (30 vs.13 months; (p = .0018) and OS (NR vs. 15 months; p < .0001). NTproBNP > 8500 pg/mL, presence of 1q21 gain and shorter duration of therapy (≤ 12 cycles) are strong negative predictive factors for outcomes with daratumumab therapy in AL amyloidosis.
Characterization of myeloid neoplasms following allogeneic hematopoietic cell transplantation
Authors: Kuno Masatomo , Yamasaki Satoshi , Fujii Nobuharu , Ishida Yasushi , Fukuda Takahiro , Kataoka Keisuke , Uchida Naoyuki , Katayama Yuta , Sato Maho , Onai Daishi , Miyamoto Toshihiro , Ota Shuichi , Yoshioka Satoshi , Ara Takahide , Hangaishi Akira , Hashii Yoshiko , Onizuka Makoto , Ichinohe Tatsuo , Atsuta Yoshiko , Inamoto Yoshihiro ,   on behalf of the Japan Society for Hematopoietic Cell Transplantation Late Effects and Quality of Life Working Group
Published: November 2021

We compared characteristics of myeloid neoplasms (MNs) following allogeneic hematopoietic cell transplantation (HCT) versus autologous HCT using a Japanese HCT registry database. Among 43 788 patients who underwent allogeneic (n = 18 874) or autologous HCT (n = 24 914) for non‐myeloid malignancies or non‐malignant diseases, 352 developed MNs. The cumulative incidence of MNs was lower after allogeneic HCT than after autologous HCT (0.3% vs. 1.8% at 10 years, respectively, p < .001). Compared with autologous HCT, MNs following allogeneic HCT developed in younger patients (median, 42 vs. 57 years old, respectively) and sooner after HCT (median, 16 vs. 33 months, respectively). Approximately half of MNs following allogeneic HCT were donor‐derived and occurred later than recipient‐derived MNs (median, 26 vs. 6 months, respectively, p = .003). In multivariate analysis, reduced‐intensity conditioning and cord blood transplantation were associated with MN development after allogeneic HCT. Overall survival was similar in patients who developed MNs following allogeneic versus autologous HCT (18% vs. 22% at 5 years, respectively, p = .48). Patient age ≥ 55 years, the presence of previous HCT, AML subtype, and chromosome 5 or 7 abnormalities were adverse factors for overall survival after MN diagnosis. Further research is warranted to elucidate the mechanisms of MN development following allogeneic HCT.
A Formal [3+3+1] Reaction of Enyne‐Methylenecyclopropanes through Au(I)‐Catalyzed Enyne Cycloisomerization and Rh(I)‐Catalyzed [6+1] Reaction of Vinylspiropentanes and CO
Authors: Li Chen‐Long , Yang Yusheng , Zhou Yi , Yu Zhi‐Xiang
Published: November 2021

A formal [3+3+1] reaction through gold(I)‐catalyzed enyne cycloisomerization of enyne‐methylenecyclopropanes and rhodium(I)‐catalyzed [6+1] reaction of vinylspiropentanes and CO has been developed to synthesize aza‐6/7 bicyclic compounds, hexahydrocyclohepta[c]pyridinones. DFT calculations reveal that four steps are involved in the [6+1] cycloaddition of vinylspiropentanes and CO, including oxidative addition of cyclopropane to Rh, β−C elimination, CO insertion and reductive elimination.
Transformation of tert‐Butyl Amide Directing Groups to Nitriles in Iridium‐Catalyzed C−H Bond Functionalizations
Authors: Kim Dopil , Yoo Haneul , Park Myung Hwan , Kim Youngjo , Chuang Gary Jing , Yoo Kwangho , Kim Dongwook , Kim Hyun Jin , Kim Min
Published: November 2021

To overcome limitations of the directing group in IrCp* catalysis for C−H functionalization, we developed a directing group transformation strategy that was applied after obtaining the desired products. Well‐established Ir‐catalyzed alkenylation, alkylation, and arylation reactions were performed under mild conditions, and then the stable coordinating amide groups were efficiently converted to versatile nitrile groups by in situ treatment with Vilsmeier reagent at room temperature. Whereas the conversion of primary amides has been extensively studied with modified Appel protocol, nitrile formation from secondary amides is very limited. Various ortho‐functionalized benzonitrile derivatives (31 examples) were synthesized using this simple methodology, and the subsequent oxidative cyclization of an ortho‐alkenylated product was investigated to demonstrate the synthetic utility of this strategy. This simple and versatile methodology should be available under various transition metal catalysis with stable amide directing groups.
Recent Advances in Mono‐ and Difunctionalization of Unactivated Olefins
Authors: Patel Monak , Desai Bhargav , Sheth Aakash , Dholakiya Bharatkumar Z. , Naveen Togati
Published: November 2021

Olefins are synthetically useful building blocks in modern organic synthesis. Direct functionalization of olefins; represent one of the most explored transformations in synthetic chemistry due to their easy availability and reactivity towards large number of reactants affording diverse range of organic compounds. In recent times, the development of new protocols for the functionalization of olefins is a growing realm. A plethora of olefin functionalization methodologies have been reported in the literature through ionic and free radical mechanisms including single electron transfer (SET) in the last two decades. This review gives an overview of mono‐ and difunctionalization of unactivated olefins, with an emphasis on the mechanistic details.
Frequency‐Polarization‐Multiplexed Single‐Layer Coding Metasurface for Independent Control of Four‐Channel Wavefront
Authors: Dong Liang , Li Tai Cheng , Zhu Lei , Zhao Xin , Yi Jianjia
Published: November 2021

Driven by the increasing demands for high integrations and large information capacities, the low‐profile and multifunctional coding metasurfaces have drawn much attention. Here, a novel, single‐layer, low‐profile, and multifunction coding metasurface based on frequency and polarization multiplexing is proposed. Numerical and experimental results demonstrate that the proposed coding metasurface can achieve the functions of four‐channel wavefront manipulation including beam splitting, abnormal deflection, vortex beam generation, and radar cross section (RCS) reduction at two operating frequencies under both linearly orthogonally polarized wave excitations. Owing to the high‐efficiency, low‐profile, and multiple functions’ characteristics, the proposed coding metasurface suggests potential applications in the fields of radar detections, satellite communications, and high integration of electromagnetic (EM) systems.
Synthetical modification of plant oil‐based plasticizer with CO2 leads to reduced migration from NBR rubber
Authors: Shahzad Irfan , Rahman Md Mahbubur , Wittchen Sergei , Reincke Katrin , Langer Beate , Cepus Valentin
Published: November 2021

The increasing environmental and toxic health concerns due to phthalate‐based plasticizers are pushing researchers to eliminate these market leader plasticizers and to find nature‐friendly bio‐based plasticizers with reduced migration. The present study is also an effort in this regard. Herein, the epoxidized monoester of glycerol formal based on soybean oil is synthetically modified by carbonation in the presence of a catalyst to increase the polarity of the plasticizer. These modified and pristine plasticizers were incorporated in acrylonitrile─butadiene rubber and their migration analysis during heating the sample for 60 h were performed using fourier transform infrared spectroscopy with attenuated total reflectance (FTIR‐ATR) by observing the absorbance of the characteristic carbonyl stretching vibration peak (1736 cm−1) of plasticizer relative to the CH stretching vibration of butadiene (968 cm−1). The results of migration kinetics and mechanical testing demonstrated reduction of diffusion coefficients by modification while hardness and tensile strength are hardly affected. In addition to the fact that soybean oil as a natural resource is more sustainable, the additional synthesis step of binding CO2 is advantageous for a green chemistry approach.
High‐epoxy value bio‐based epoxy emulsion reinforced interfacial properties of carbon fiber/epoxy composites
Authors: Chen Yifan , Ding Lei , Cui Chao , Liu Li , Huang Yudong
Published: November 2021

The development of new bio‐based epoxy resins and the search for new application areas have become important research directions for bio‐based epoxy resins. Using protocatechuic acid (PA) as a bio‐based raw material, brominated alkenes with different chain length were introduced into PA through substitution reaction, and then oxidized to obtain epoxy resins (PA‐EP) with different epoxy values. After that, it was introduced into epoxy resin (diglycidyl ether bisphenol A [DGEBA]) sizing agent to replace part of DGEBA to prepare new sizing agents. Sizing amount test and sizing CF surface morphology show that the introduction of PA‐EP with high‐epoxy value made it easier be adhered to carbon fiber (CF) surface during sizing process. Interfacial shear strength and interlaminar shear strength of composite made of sizing CF (20 wt% PA‐EP‐3) were 56.86% and 30.29% improvement against the bare CF, which was attributed to the increase in surface energy and epoxy groups after CF sizing. Therefore, PA‐EP with high‐epoxy value was applied as sizing agent for improving interface performance of CF for the first time, and this application was less affected by its low‐output problem compared to its application as a matrix resin in the field of composite manufacturing.
Effect of oleic acid on improving flame retardancy of brucite in low‐density polyethylene composite
Authors: Liu Renjie , Xia Wei , Otitoju Tunmise Ayode , Wu Weidong , Wang Song , Li Sanxi , Zhang Ailing , Chen Xuecheng , Tang Tao , Liu Jie
Published: November 2021

Brucite was modified with oleic acid (OA) and the effect of OA on flame retardancy of brucite in low‐density polyethylene (LDPE) composites was investigated. Fourier transform infrared spectroscopy, X‐ray diffraction, and particle size analysis were used to examine the structural changes of the OA modified brucite. Flammability of the LDPE/brucite composites with different OA content was characterized by thermogravimetric analysis, limiting oxygen index (LOI), UL‐94 test, and microscale combustion calorimetry. The results showed that when brucite was modified with OA, magnesium oleate was formed on the brucite surface. The brucite particle size and the relative intensity of the (101) diffraction peak of brucite decreased. When the content of OA and brucite in the composite were 6 and 40 phr respectively, the prepared LDPE composite displayed better flame retardancy than the corresponding OA free LDPE composite: the LOI value increased from 22.2% to 24.9%, and the peak heat release rate decreased from 678 to 546 kW/m2. The influence of OA on the improvement of flame retardancy of brucite in LDPE/brucite composite was due to the efficient dispersion of brucite in LDPE matrix and the structural changes of brucite, caused by the reaction of OA with brucite.
The improved foaming behavior of PLA caused by the enhanced rheology properties and crystallization behavior via synergistic effect of carbon nanotubes and graphene
Authors: Li Shaojie , Liao Xia , Xiao Wei , Jiang Qiuyue , Li Guangxian
Published: November 2021

Hybrid fillers are expected to improve the foaming behavior of polymer while little research concern about the synergetic effect of hybrid fillers on the foaming behavior of polylactide (PLA). In current work, rheological properties and crystallization behavior of PLA modified by hybrid fillers (carbon nanotubes [CNTs] and graphene [GP]) was studied, and the foaming morphologies and properties of composite foams were investigated. Results showed that the PLA/CNTs/GP composites exhibited better filler connection, which resulted in higher melt strength and increasing crystals nucleation sites. The increased melt strength and crystals in PLA/CNTs/GP helped the matrix to withstand the bubble growth, and the collapse and coalescence of bubbles was prevented. The better cell morphology of PLA/CNTs/GP presented better filler connection and resisted the external force, thus enhanced the electrical conductivity to 1.28 × 10−1 S/m and compressive strength to 7.46 MPa for composite foams, which widened the application of PLA foams.
Standardization, objectification, and essence research of traditional Chinese medicine syndrome: A 15‐year bibliometric and content analysis from 2006 to 2020 in Web of Science database
Authors: Liu Ji‐Yan , Li Xiang
Published: November 2021

The standardization, objectification, and essence research of traditional Chinese medicine (TCM) syndrome influence the modernization and international development of TCM syndrome. A total of 253 relevant publications collected from the Web of Science Core Collection database from 2006 to 2020 were analyzed by bibliometric and content methods. The co‐occurrence analysis of countries, institutions, journals, authors, and keywords analysis were carried out by using Citespace software. The high‐yield institutions and high‐impact authors contributed to TCM syndrome publications were concentrated in China. Since 2012, driven by some groundbreaking publications, the number of TCM syndrome literatures has increased rapidly. According to the results of bibliometric and content analysis, research hotspots in TCM syndrome in the last 15 years can be summarized in six aspects: (a) objectification research of four TCM diagnostic methods, (b) omics technology for the essence research of TCM syndrome, (c) research on TCM syndrome evaluation scale, (d) metagenomic technology for the essence research of TCM syndrome, (e) data mining technology for TCM syndrome differentiation, and (f) systematic research on TCM syndromes of chronic hepatitis B. Emerging trends can be identified according to the most recent keywords bursts: (a) TCM syndrome diagnostic models with multiple indexes should be constructed to develop personalized medicine. (b) The connotation of TCM syndrome should be verified through “syndrome detecting from recipe used,” and the screened potential markers of TCM syndrome need clinical verification. (c) The intervention and integration of multi‐disciplines is expected to find a new breakthrough in the research of TCM syndrome.
Two‐Dimensional Halide Perovskites: Approaches to Improve Optoelectronic Properties
Authors: Ajayakumar Avija , Muthu Chinnadurai , V. Dev Amarjith , Pious Johnpaul K. , Vijayakumar Chakkooth
Published: November 2021

Three‐dimensional (3D) halide perovskites (HPs) are in the spotlight of materials science research due to their excellent photonic and electronic properties suitable for functional device applications. However, the intrinsic instability of these materials stands as a hurdle in the way to their commercialization. Recently, two‐dimensional (2D) HPs have emerged as an alternative to 3D perovskites, thanks to their excellent stability and tunable optoelectronic properties. Unlike 3D HPs, a library of 2D perovskites could be prepared by utilizing the unlimited number of organic cations since their formation is not within the boundary of the Goldschmidt tolerance factor. These materials have already proved their potential for applications such as solar cells, light‐emitting diodes, transistors, photodetectors, photocatalysis, etc. However, poor charge carrier separation and transport efficiencies of 2D HPs are the bottlenecks resulting in inferior device performances compared to their 3D analogs. This minireview focuses on how to address these issues through the adoption of different strategies and improve the optoelectronic properties of 2D perovskites.
Near‐Infrared Nonfullerene Acceptors Based on 4H‐Cyclopenta[1,2‐b:5,4‐b′]dithiophene for Organic Solar Cells and Organic Field‐Effect Transistors
Authors: Yuan Likai , Liang Shijie , Xiao Chengyi , Chen Qiaomei , Li Weiwei
Published: November 2021

The development of nonfullerene small molecular acceptors (NF‐SMAs) has dominated the improvement of efficiencies for organic solar cells and the near‐infrared (NIR) absorption is the primary feature of NF‐SMAs compared with fullerene derivatives. In this article, a series of acceptor‐donor‐acceptor‐structured NF‐SMAs (named CPICs) containing 4H‐cyclopenta[1,2‐b : 5,4‐b′]dithiophene (CPDT) electron donor and F‐substituted 2‐(3‐oxo‐2,3‐dihydro‐1H‐inden‐1‐ylidene)malononitrile (2FIC) as electron acceptor were designed and synthesized. With the increase of CPDT units, the elongated conjugations broadened the absorption range of the acceptors and tuned their energy levels sequentially. Therefore, their charge‐transporting polarities switched from electron‐only type to bipolar mode in organic field‐effect transistors. Moreover, these changes also influenced the voltages, current densities, and eventual PCEs of their corresponding cells. When blending with PBDB‐T, a champion efficiency of 10.01% was achieved in CPIC‐2 based cells. This work demonstrated the importance of absorptions, suitable energy levels and charge transports in improving the efficiencies of organic solar cells.
Protein modifications in Hedgehog signaling
Authors: Liu Min , Su Ying , Peng Jingyu , Zhu Alan Jian
Published: November 2021

The complexity of the Hedgehog (Hh) signaling cascade has increased over the course of evolution; however, it does not suffice to accommodate the dynamic yet robust requirements of differential Hh signaling activity needed for embryonic development and adult homeostatic maintenance. One solution to solve this dilemma is to apply multiple forms of post‐translational modifications (PTMs) to the core Hh signaling components, modulating their abundance, localization, and signaling activity. This review summarizes various forms of protein modifications utilized to regulate Hh signaling, with a special emphasis on crosstalk between different forms of PTMs and their feedback regulation by Hh signaling.
Serum semaphorin 4C as a diagnostic biomarker in breast cancer: A multicenter retrospective study
Authors: Wang Ya , Qiao Long , Yang Jie , Li Xiong , Duan Yaqi , Liu Jiahao , Chen Shaoqi , Li Huayi , Liu Dan , Fang Tian , Ma Jingjing , Li Xiaoting , Ye Fei , Wan Junxiang , Wei Juncheng , Xu Qin , Guo Ensong , Jin Ping , Wu Mingfu , Zhang Lin , Xia Yun , Wu Yaqun , Shao Jun , Feng Yaojun , Zhang Qing , Yang Zongyuan , Chen Gang , Zhang Qinghua , Li Xingrui , Wang Shixuan , Hu Junbo , Wang Xiaoyun , Tan Mona P. , Takabe Kazuaki , Kong Beihua , Yang Qifeng , Ma Ding , Gao Qinglei
Published: November 2021

Background

To date, there is no approved blood‐based biomarker for breast cancer detection. Herein, we aimed to assess semaphorin 4C (SEMA4C), a pivotal protein involved in breast cancer progression, as a serum diagnostic biomarker.

Methods

We included 6,213 consecutive inpatients from Tongji Hospital, Qilu Hospital, and Hubei Cancer Hospital. Training cohort and two validation cohorts were introduced for diagnostic exploration and validation. A pan‐cancer cohort was used to independently explore the diagnostic potential of SEMA4C among solid tumors. Breast cancer patients who underwent mass excision prior to modified radical mastectomy were also analyzed. We hypothesized that increased pre‐treatment serum SEMA4C levels, measured using optimized in‐house enzyme‐linked immunosorbent assay kits, could detect breast cancer. The endpoints were diagnostic performance, including area under the receiver operating characteristic curve (AUC), sensitivity, and specificity. Post‐surgery pathological diagnosis was the reference standard and breast cancer staging followed the TNM classification. There was no restriction on disease stage for eligibilities.

Results

We included 2667 inpatients with breast lesions, 2378 patients with other solid tumors, and 1168 healthy participants. Specifically, 118 patients with breast cancer were diagnosed with stage 0 (5.71%), 620 with stage I (30.00%), 966 with stage II (46.73%), 217 with stage III (10.50%), and 8 with stage IV (0.39%). Patients with breast cancer had significantly higher serum SEMA4C levels than benign breast tumor patients and normal controls (P < 0.001). Elevated serum SEMA4C levels had AUC of 0.920 (95% confidence interval [CI]: 0.900–0.941) and 0.932 (95%CI: 0.911–0.953) for breast cancer detection in the two validation cohorts. The AUCs for detecting early‐stage breast cancer (n = 366) and ductal carcinoma in situ (n = 85) were 0.931 (95%CI: 0.916–0.946) and 0.879 (95%CI: 0.832–0.925), respectively. Serum SEMA4C levels significantly decreased after surgery, and the reduction was more striking after modified radical mastectomy, compared with mass excision (P < 0.001). The positive rate of enhanced serum SEMA4C levels was 84.77% for breast cancer and below 20.75% for the other 14 solid tumors.

Conclusions

Serum SEMA4C demonstrated promising potential as a candidate biomarker for breast cancer diagnosis. However, validation in prospective settings and by other study groups is warranted.
Transition metal complexes bearing atropisomeric saturated NHC ligands
Authors: Savchuk Mariia , Bocquin Lucas , Albalat Muriel , Jean Marion , Vanthuyne Nicolas , Nava Paola , Humbel Stéphane , Hérault Damien , Clavier Hervé
Published: November 2021

From achiral imidazolinium salts, chiral transition metal complexes containing an N‐heterocyclic carbene (NHC) ligand were prepared (metal = palladium, copper, silver, gold, rhodium). Axial chirality in these complexes results from the formation of the metal‐carbene bond leading to the restriction of rotation of dissymmetric N‐aryl substituents about the C–N bond. When these complexes exhibited a sufficient configurational stability, a resolution by chiral high‐performance liquid chromatography (HPLC) on preparative scale enabled isolation of enantiomers with excellent enantiopurities (>99% ee) and good yields. A study of the enantiomerization barriers revealed the effect of the backbone nature as well as the type of transition metal on its values. Nevertheless, the evaluation of palladium‐based complexes in asymmetric intramolecular α‐arylation of amides demonstrated that the ability to induce an enantioselectivity cannot be correlated to the configurational stability of the precatalysts.
Investigation of a Model‐Based Deep Reinforcement Learning Controller Applied to an Air Separation Unit in a Production Environment
Authors: Blum Nicolas , Krespach Valentin , Zapp Gerhard , Oehse Christian , Rehfeldt Sebastian , Klein Harald
Published: November 2021

The need for load flexibility and increased efficiency of energy‐intensive processes has become more and more important in recent years. Control of the process variables plays a decisive role in maximizing the efficiency of a plant. The widely used control models of linear model predictive controllers (LMPC) are only partly suitable for nonlinear processes. One possibility for improvement is machine learning. In this work, one approach for a purely data‐driven controller based on reinforcement learning is explored at an air separation plant (ASU) in productive use. The approach combines the model predictive controller with a data‐generated nonlinear control model. The resulting controller and its control performance are examined in more detail on an ASU in real operation and compared with the previous LMPC solution. During the tests, stable behavior of the new control concept could be observed for several weeks in productive operation.
Cover Crop Mixtures, Biodiversity, and Agriculture
Authors: McGuire Andrew
Published: November 2021

Farmers are using cover crop mixtures, hoping the power of biodiversity will transform their soils, improve yields, and regenerate their agroecosystems. Is this hope warranted? This article examines the ecological basis for mixtures, the results of cover crop mixture research, and the mechanisms that might cause mixtures to outperform monocultures. Earn 1 CEU in Crop Management by reading the article and taking the quiz at https://bit.ly/3lHmAhU. View all CEUs online at https://web.sciencesocieties.org/Learning‐Center/Courses.
Kees van der Heijden, a personal reflection: Commentary on Rowland and Spaniol 2021
Authors: Lang Trudi
Published: November 2021

This piece is a personal reflection on the work and impact of Kees van der Heijden as part of the retrospective book review by Rowland and Spaniol (2021).
Significance of aegirine‐bearing metabasic rocks in the metamorphic evolution of the Nagaland Accretionary Prism, northeast India
Authors: Ghose Naresh C. , Singh Athokpam Krishnakanta , Dutt Amrita , Imtisunep Sashimaren
Published: November 2021

The ophiolite belt of Nagaland–Manipur states in Northeast India represents a segment of the ocean floor and upper mantle following eastward convergence of the Indian Plate with the Myanmar (Burmese) microplate during the Mesozoic. A variety of high‐pressure metamorphic assemblages have been noted in the metabasics and metacherts from the Phanerozoic ophiolite belt in the central part of the Naga Hills, which constitute the Nagaland Accretionary Prism. The metabasics are represented by very low‐grade assemblages of zeolite, prehnite‐pumpellyite, greenschists, and high‐pressure glaucophane schist and eclogite. We report the occurrence of aegirine‐bearing metabasic rocks, previously not recorded in the region. The metabasics are strongly fractionated and show chemical affinity with low‐K oceanic tholeiite. They are derived from a basic protolith of depleted mantle composition (viz. MORB). Pseudosection modelling reveals that aegirine formed at P–T conditions of c. 1.15 GPa and 490°C in the basic protolith in blueschist facies conditions. Similar P–T conditions have been reported from nearby localities, either as part of retrograde conditions or due to post‐peak cooling changes in the different metamorphic assemblages. However, the P–T observed from our study does not follow the cooling or retrograde path of the reported metabasics. Therefore, we suggest that the aegirine‐bearing metabasics might have formed at an earlier stage in the nascent forearc when temperatures were elevated enough to cause dehydration of the subducting slab to generate Na‐rich fluid fluxes at ambient pressures.
Potential processes of change in MDMA‐Assisted therapy for social anxiety disorder: Enhanced memory reconsolidation, self‐transcendence, and therapeutic relationships
Authors: Luoma Jason B. , Shahar Ben , Kati Lear M. , Pilecki Brian , Wagner Anne
Published: November 2021

Objective

Researchers have suggested that psychotherapy may be enhanced by the addition of 3,4‐methylenedioxymethamphetamine (MDMA), particularly in the treatment of disorders wherein interpersonal dysfunction is central, such as social anxiety disorder. We review literature pertaining to three potential processes of change that may be instigated during sessions involving MDMA administration in the treatment of social anxiety disorder.

Design

This is a narrative review that integrates research on the etiology and maintenance of social anxiety disorder and mechanisms of action of MDMA to examine how MDMA may enhance psychotherapy outcomes.

Results

We first outline how MDMA may enhance memory reconsolidation in social anxiety disorder. We then discuss how MDMA may induce experiences of self‐transcendence and self‐transcendent emotions such as compassion, love, and awe; and how these experiences may be therapeutic in the context of social anxiety disorder. We subsequently discuss the possibility that MDMA may enhance the strength and effectiveness of the therapeutic relationship which is a robust predictor of outcomes across many disorders as well as a potential key ingredient in treating disorders where shame and social disconnection are central factors.

Conclusion

We discuss how processes of change may extend beyond the MDMA dosing sessions themselves.
Analysis of growing season carbon and water fluxes of a subalpine wetland in the Canadian Rocky Mountains: Implications of shade on ecosystem water use efficiency
Authors: Hrach Dylan M. , Petrone Richard M. , Green Adam , Khomik Myroslava
Published: November 2021

Mountain regions are an important regulator in the global water cycle through their disproportionate water contribution. Often referred to as the “Water Towers of the World”, mountains contribute 40%–60% of the world's annual surface flow. Shade is a common feature in mountains, where complex terrain cycles land surfaces in and out of shadows over daily and seasonal scales, which can impact water use. This study investigated the turbulent water and carbon dioxide (CO2) fluxes during the snow‐free period in a subalpine wetland in the Canadian Rocky Mountains, from 7 June to 10 September 2018. Shading had a significant and substantial effect on water and CO2 fluxes at our site. When considering data from the entire study period, each hourly increase of shade per day reduced evapotranspiration (ET) and gross primary production (GPP) by 0.42 mm and 0.77 g C m−2, equivalent to 17% and 15% per day, respectively. However, the variability in shading changed throughout the study, it was stable to start and increased towards the end. Only during the peak growing season, the site experienced days with both stable and increasing shade. During this time, we found that shade, caused by the local complex terrain, reduced ET and potentially increased GPP, likely due to enhanced diffuse radiation. The overall result was greater water use efficiency during periods of increased shading in the peak growing season. These findings suggest that shaded subalpine wetlands can store large volumes of water for late season runoff and are productive through short growing seasons.
Romosozumab Enhances Vertebral Bone Structure in Women With Low Bone Density
Authors: Poole Kenneth ES , Treece Graham M , Pearson Rose A , Gee Andrew H , Bolognese Michael A , Brown Jacques P , Goemaere Stefan , Grauer Andreas , Hanley David A , Mautalen Carlos , Recknor Chris , Yang Yu-Ching , Rojeski Maria , Libanati Cesar , Whitmarsh Tristan
Published: November 2021

Romosozumab monoclonal antibody treatment works by binding sclerostin and causing rapid stimulation of bone formation while decreasing bone resorption. The location and local magnitude of vertebral bone accrual by romosozumab and how it compares to teriparatide remains to be investigated. Here we analyzed the data from a study collecting lumbar computed tomography (CT) spine scans at enrollment and 12 months post-treatment with romosozumab (210 mg sc monthly, n = 17), open-label daily teriparatide (20 μg sc, n = 19), or placebo (sc monthly, n = 20). For each of the 56 women, cortical thickness (Ct.Th), endocortical thickness (Ec.Th), cortical bone mineral density (Ct.bone mineral density (BMD)), cancellous BMD (Cn.BMD), and cortical mass surface density (CMSD) were measured across the first lumbar vertebral surface. In addition, color maps of the changes in the lumbar vertebrae structure were statistically analyzed and then visualized on the bone surface. At 12 months, romosozumab improved all parameters significantly over placebo and resulted in a mean vertebral Ct.Th increase of 10.3% versus 4.3% for teriparatide, an Ec.Th increase of 137.6% versus 47.5% for teriparatide, a Ct.BMD increase of 2.1% versus a −0.1% decrease for teriparatide, and a CMSD increase of 12.4% versus 3.8% for teriparatide. For all these measurements, the differences between romosozumab and teriparatide were statistically significant (p < 0.05). There was no significant difference between the romosozumab-associated Cn.BMD gains of 22.2% versus 18.1% for teriparatide, but both were significantly greater compared with the change in the placebo group (−4.6%, p < 0.05). Cortical maps showed the topographical locations of the increase in bone in fracture-prone areas of the vertebral shell, walls, and endplates. This study confirms widespread vertebral bone accrual with romosozumab or teriparatide treatment and provides new insights into how the rapid prevention of vertebral fractures is achieved in women with osteoporosis using these anabolic agents. © 2021 The Authors. Journal of Bone and Mineral Research published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research (ASBMR).
Thermostabilization mechanisms in thermophilic versus mesophilic three‐helix bundle proteins
Authors: Nguyen Catrina , Yearwood Lauren M. , McCully Michelle E.
Published: November 2021

The engineered three‐helix bundle, UVF, is thermostabilized entropically due to heightened, native‐state dynamics. However, it is unclear whether this thermostabilization strategy is observed in natural proteins from thermophiles. We performed all‐atom, explicit solvent molecular dynamics simulations of two three‐helix bundles from thermophilic H. butylicus (2lvsN and 2lvsC) and compared their dynamics to a mesophilic three‐helix bundle, the Engrailed homeodomain (EnHD). Like UVF, 2lvsC had heightened native dynamics, which it maintained without unfolding at 100°C. Shortening and rigidification of loops in 2lvsN and 2lvsC and increased surface hydrogen bonds in 2lvsN were observed, as is common in thermophilic proteins. A buried disulfide and salt bridge in 2lvsN and 2lvsC, respectively, provided some stabilization, and addition of a homologous disulfide bond in EnHD slowed unfolding. The transferability and commonality of stabilization strategies among members of the three‐helix bundle fold suggest that these strategies may be general and deployable in designing thermostable proteins.
Architecture lattice‐matched cauliflower‐like CuO/ZnO p–n heterojunction toward efficient water splitting
Authors: Zhang Kai , Cai Wen‐Fang , Shi Jin‐Wen , Chen Qing‐Yun
Published: November 2021

BACKGROUND

In photoelectrochemical (PEC) water splitting, hydrogen and oxygen can be dissociated from water molecules on semiconductors by directly utilizing clean renewable solar energy. The key bottleneck of PEC water splitting is to design new types of photoelectrodes with long‐term stability and high PEC performance.

RESULTS

Here, cauliflower‐shaped p–n CuO/ZnO heterojunction photocathodes with lattice matching were synthesized using one‐step electrodeposition and heat treatment. The results showed that the deposition of CuO and ZnO took place simultaneously. The proportion of CuO and ZnO varied with the electrodeposition time and calcination temperature and duration. The parallel lattice‐matched CuO/ZnO heterojunction enhanced the separation and migration of photogenerated charge carriers, which accomplished a photocurrent density value of approximately −1.8 mA cm−2 at a bias of 0 VRHE in 0.5 mol L−1 Na2SO4 solution.

CONCLUSIONS

This work could provide a simplified strategy for the synthesis of p–n copper‐based heterogeneous photocathodes for application in PEC water splitting. © 2021 Society of Chemical Industry (SCI).
Evaluation of modified biofloc system with filtration unit in controlling suspended solids and inorganic nitrogen concentrations in a recirculating aquaculture system
Authors: Kunwong Suta , Satanwat Penpicha , Powtongsook Sorawit , Pungrasmi Wiboonluk , Nootong Kasidit
Published: November 2021

BACKGROUND

Biofloc technology systems (BFT) often encounter difficulties in controlling suspended solid levels in tanks. The oxygen consumption rates and ammonia removal rates of bioflocs as the BFT system shifts from assimilation towards nitrification have rarely been reported. Thus, the performance of the BFT system with a filtration unit was evaluated.

RESULTS

Preliminary work found that the optimal screen pore size and recirculating flow rate were 100 μm and 3000 L day−1, respectively. The BFT system with the filtration unit could maintain suspended solids in the fish tank below 50 mg‐SS L−1 while retaining significantly higher suspended solids in the biofloc reactor (509 ± 44.6 mg‐SS L−1). The daily starch addition at a C:N mass ratio of 10:1 in phase I (day 1–38) induced the biofloc formation that kept TAN and nitrite levels below 1.0 mg‐N L−1. The fraction of inorganic nitrogen compounds increased from 2.5% in phase I to 27.6% in phase III (day 56–70). TAN removal rates increased from 3.0 mg‐N g‐SS−1 day−1 during phase I to 10.34 ± 0.392 mg‐N g‐SS−1 day−1 after complete nitrification occurred. Relatively constant oxygen consumption rates of the bioflocs (149.1 ± 9.53 mg‐ O2 g‐SS−1 day−1) were observed for the entire experiment.

CONCLUSION

The BFT system with a filtration unit was effective in controlling suspended solid and inorganic nitrogen concentrations. Nitrogen treatment pathway of BFT system was assimilation during startup period but gradually shifted to nitrification. Oxygen consumption rates of the bioflocs are relatively constant regardless of the pathways responsible for nitrogen treatment. © 2021 Society of Chemical Industry (SCI).