bluuebunny/crossref_metadata_2025 huggingface dataset:
Probability of Response in the First Sixteen Weeks After Starting Biologics: An Analysis of Juvenile Idiopathic Arthritis Biologics Trials
Authors: Lim Lily Siok Hoon , Lokku Armend , Pullenayegum Eleanor , Ringold Sarah
Published: August 2022

Objectives

Most juvenile idiopathic arthritis (JIA) biologic disease‐modifying antirheumatic drugs (bDMARDs) trials used an open‐label run‐in period followed by randomized medication withdrawal. We used data from the run‐in period of 4 bDMARD trials to 1) delineate early response trajectory to bDMARDs and 2) identify predictors of early response.

Methods

Data from the first 16 weeks of 4 bDMARD trials were used. The primary outcome was the American College of Rheumatology (ACR) Pediatric 50 (Pedi 50) response criteria: clinically significant response defined as ACR Pedi 50 or greater. The secondary outcome was the clinical Juvenile Arthritis Disease Activity Score in 10 joints (cJADAS10) minimal disease activity state. Response transition rates and predictors were modeled using an inhomogeneous Markov multistate model.

Results

Five hundred thirty‐two participants (70% receiving methotrexate, 41% prednisone) were included. By month 4, the probability of attaining ACR Pedi 50 or greater was 0.698. If ACR Pedi 50 or more was not achieved by month 1, the probability of achieving it by month 4 was 0.60. If ACR Pedi 50 or more was not achieved by month 3, the probability of achieving this by month 4 was 0.31. Age at diagnosis, disease duration, baseline rheumatoid factor, and active joint counts predicted ACR and cJADAS state transitions, adjusted for concomitant treatment.

Conclusions

No response ACR Pedi 50 or more by month 1 after treatment was associated with a 0.60 probability of responding by month 4, but not responding by month 3 was associated with a 0.31 probability of response by month 4. Baseline disease duration, rheumatoid factor, and active joint counts predicted early treatment response (ACR and cJADAS10 states).
Understanding the Impact and Tackling the Burden of Osteoarthritis for Aboriginal and Torres Strait Islander People
Authors: O'Brien Penny , Prehn Ryan , Green Charmaine , Lin Ivan , Flanagan Wanda , Conley Brooke , Bessarab Dawn , Coffin Juli , Choong Peter F. M. , Dowsey Michelle M. , Bunzli Samantha
Published: August 2022

Objective

The aim of this study was to understand and describe the lived experience of Aboriginal and Torres Strait Islander people with osteoarthritis.

Methods

Qualitative study guided by cultural security, which ensures that research is conducted in a way that will not compromise the cultural values, beliefs, and expectations of Aboriginal and Torres Strait Islander people. Participants were purposively sampled through the networks of project staff. Research yarns (a cultural form of conversation used as a data gathering tool) were conducted with 25 Aboriginal and Torres Strait Islander adults with self‐reported osteoarthritis in Western Australia and Victoria, Australia. Data were analyzed using a framework approach and presented through composite storytelling (hypothetical stories representing an amalgam of participants’ experiences).

Results

Two composite stories were constructed to reflect themes relating to beliefs and knowledge, impact, coping, and health care experiences. Common beliefs held by participants were that osteoarthritis is caused by previous physically active lifestyles. Many participants feared for their future, increasing disability and needing a wheelchair. Pain associated with osteoarthritis impacted daily activities, sleep, work, family, and social life and cultural activities. Multidimensional impacts were often experienced within complex health or life circumstances and associated with increased anxiety and depression. Most participants reported negative health care experiences, characterized by poor patient–provider communication.

Conclusion

Our findings highlight that osteoarthritis is a multidimensional issue for Aboriginal and Torres Strait Islander people that permeates all aspects of life and highlights the need for integrated, multidisciplinary care that is culturally informed and individualized to patient need.
Investigation of Energy Absorption Behavior of Light Sandwich Panel with Nickel/Polymer Open‐Cell Foam Core during Compression
Authors: Rohani Nejad Salar , Hosseinpour Mehrnoosh , Mirbagheri Seyed Mohammad Hossein
Published: August 2022

This investigation aims to assess the mechanical behavior and energy absorption properties of the light sandwich panels made of open‐cell polymer and nickel/polymer foam. A portion of the ultralightweight foam sandwich panels (14.23 g) is produced by 3D printing and electrodeposition methods with 35, 45, and 55 seeds numbers, which lead to 4, 5, and 6 pores per inch (PPI); then a uniaxial compression test is applied to measure maximum compressive strength, strength‐to‐weight ratio, energy absorption density, efficiency, and complementary energy. The results indicate that compared with typical open‐cell nickel foams and polymer precursors when the thickness of the nickel layer is about 50 micrometers, the aforementioned properties of the sandwich panel shows a significant improvement. Improvement of properties changes by increasing PPI and CAD seed numbers. In a nickel/polymer sandwich panel with 6 PPI, the first maximum compressive strength, specific energy absorption, and energy absorption efficiency reach 0.93 (MPa), 0.93 (), and 60%, respectively. 3D‐RP‐Ni‐6 improves 3D‐RP‐6 first maximum compressive strength and specific energy absorption by six times and two times, respectively. These significant improvements in the properties of these sandwich panels make these advanced materials a suitable candidate for the high strength applications.
Carbon‐Coated Electrospun V2O5 Nanofibers as Photoresponsive Cathode for Lithium‐Ion Batteries
Authors: Wilhelm Michael , Adam Ruth , Bhardwaj Aman , Neumann Iuliia , Cho Sung Hun , Yamada Yuki , Sekino Tohru , Tao Jianming , Hong Zhensheng , Fischer Thomas , Mathur Sanjay
Published: August 2022

Photo‐rechargeable batteries represent a synergistic concept that integrates both energy harvesting and energy storage modalities based on dual‐functional materials. Electrospun vanadium oxide nanofibers (VNFs) seamlessly coated with conductive carbon (VNF‐C‐120) as dual‐action cathode materials for photo‐rechargeable lithium‐ion batteries (LIBs) are reported. The materials deliver a high discharge capacity of 160 mAh g−1, which could be increased up to 184 mAh g−1 (C rate of 0.75) under light illumination that confirmed the photoresponsive behavior. Long‐term stability tests (300 cycles at 0.75C) and the post‐mortem analysis show that besides being a conductive sheath, the carbon coating is also essential in retaining the structural and morphological stability of V2O5 fibers, which was manifested in a higher capacity retention upon cycling compared to the non‐carbon‐coated VNF (43.85% capacity retention VNF and 61.13% capacity retention for VNF‐C‐120 after 300 cycles). In contrast, the pristine VNF electrode cannot reach 400 cycles, due to the failure of the cell, which, however, is prevented in cells operating with carbon‐coated electrodes. Further, the photo‐rechargeability of the cell is demonstrated under a UV lamp that delivered an overall conversion efficiency of 4.24% for VNF and 5.07% for the VNF‐C‐120.
Synthesis of Conductive Polyaniline Composites for Superior Electromagnetic Wave Absorption with Lightweight and Broad Bandwidth
Authors: Luo Zhentao , Feng Shuxing , Li Yuping , Xu Guoyue , Fang Gang , Wang Shuailong , Zhu Changhua , Liu Chuyang
Published: August 2022

The developed microelectronic devices and high‐mobility warfare put forward great requirements for electromagnetic absorption materials. Herein, porous PANI/SBA‐15 composites are successfully prepared by the in situ chemical oxidative polymerization method. On the basis of the SBA‐15 porous framework, highly conductive PANI acts as the major absorbent to achieve compatible lightweight and EM absorption. The results imply that the absorbing capacity of the PANI/SBA‐15 composites can be effectively controlled by modulating the amount of PANI. Finally, ascribing to the suitable coupling effect between impedance matching and loss properties, the PANI/SBA‐15 composite with 0.35 mL aniline monomer exhibits the optimal EM absorption performance with a minimum reflection loss of −54.20 dB at a matching thickness of 2.4 mm. Besides, the maximum effective absorption bandwidth is up to 6.00 GHz at 2.15 mm, indicating the bright application prospects in both civilian and military fields.
Facile and Scalable Synthesis of Ag Nano‐Flowers that Can be Sintered Below 120 °C
Authors: Guo Zeliang , Lang Jialiang , Zhang Haitian , Yang Cheng , Lin Sen , Wu Hui
Published: August 2022

Silver particles are key materials for the production of conductive inks, which are typically thermally sintered to obtain high conductivity. However, it remains a big challenge to achieve high conductivity at temperatures lower than 150 °C, for the protection of heat‐sensitive components in printed electronic devices. In this study, a novel frigid synthesis strategy at subzero temperature (Celsius) to produce Ag NPs with rich, rose‐like nanostructures (Ag nano‐flowers) is developed. The growth mechanism of Ag nano‐flowers under frigid conditions is analyzed and discussed. Due to the fine nanoscale structure of Ag nano‐flowers, they exhibit low sintering temperature below 120 °C. The electrical conductivity of printed Ag nano‐flower foil reaches 8.64 × 104 S cm−1 at 120 °C, and 1.20 × 105 S cm−1 at 150 °C. This study provides an attractive approach to the facile fabrication of Ag nano‐flowers with high electronic conductivity sintered at low temperatures and grants new insights into nanocrystallization under low‐temperature conditions.
An Investigation of Monolayer As1−xPx Solid Solutions: From a Theoretical Perspective
Authors: Ma Xiaoyang , Li Dechun
Published: August 2022

Phase stability and disordered solid solutions should be noticed in theoretical works due to the operating temperature up to several hundred Kelvin in the normal growth process. To better understand the properties of monolayer As1−xPx solid solutions, the phase diagram and properties of both ordered and disordered structures are investigated from a theoretical perspective. It is found that monolayer As1−xPx prefer phase‐separating structures at low temperatures and will form disordered solid solutions with temperature elevating. Considering that random atomic arrangement will destroy the inner symmetry of structures, disordered solid solutions are expected to hold piezoelectric properties which are not available in the phase‐separating ordered structures. The strains induced properties are examined which could give a detailed picture of the electronic and catalytic properties. Here, the systematic investigation of As1−xPx will be valuable for understanding monolayer As1−xPx solid solutions and is believed to set a tone for applications in further electronics and optoelectronic applications.
The Degradation of Cu2ZnSn(S,Se)4 Kesterite Thin Film Solar Cells Induced by Proton Radiation
Authors: Zhao Yun , Bai Qianqian , Chai Liqiang , Dong Xiaofei , Chen Jiangtao , Chen Jianbiao , Li Yan , Han Xiuxun
Published: August 2022

Aiming at the current bottleneck of Cu2ZnSn(S,Se)4 (CZTSSe) thin film solar cells, an experimental analysis of the performance and loss mechanism of CZTSSe thin film solar cells upon proton radiation exposure is presented. In order to deduce the important cell parameters, the environment of the cells is simulated by subjecting the devices to 200 keV proton irradiation with fluences from 1 × 1010 to 1 × 1017 cm‐2. It is found that the damage constants are sensitive to the elemental diffusion at heterojunction and Na redistribution in device. The incidence of the proton can lead to bandgap, tails fluctuations, and Urbach energy changes in the cells those directly impact defects and structural disorder in CZTSSe material thereby the device performance. The time‐resolved photoluminescence results show that the carrier lifetime is also very sensitive to the distribution of interface elements, especially Na, Cd, and S. These findings may provide new ideas for solving the VOC deficit of CZTSSe solar cells. From this work, it can be also suggested that the CZTSSe thin film solar cells are robust to proton irradiation and have the potential for future space applications.
Aberrant Cholesterol Metabolism and Wnt/β‐Catenin Signaling Coalesce via Frizzled5 in Supporting Cancer Growth
Authors: Zheng Shaoqin , Lin Jiahui , Pang Zhongqiu , Zhang Hui , Wang Yinuo , Ma Lanjing , Zhang Haijiao , Zhang Xi , Chen Maorong , Zhang Xinjun , Zhao Chao , Qi Jun , Cao Liu , Wang Min , He Xi , Sheng Ren
Published: August 2022

Frizzled (Fzd) proteins are Wnt receptors and play essential roles in development, homeostasis, and oncogenesis. How Wnt/Fzd signaling is coupled to physiological regulation remains unknown. Cholesterol is reported as a signaling molecule regulating morphogen such as Hedgehog signaling. Despite the elusiveness of the in‐depth mechanism, it is well‐established that pancreatic cancer specially requires abnormal cholesterol metabolism levels for growth. In this study, it is unexpectedly found that among ten Fzds, Fzd5 has a unique capacity to bind cholesterol specifically through its conserved extracellular linker region. Cholesterol‐binding enables Fzd5 palmitoylation, which is indispensable for receptor maturation and trafficking to the plasma membrane. In Wnt‐addicted pancreatic ductal adenocarcinoma (PDAC), cholesterol stimulates tumor growth via Fzd5‐mediated Wnt/β‐catenin signaling. A natural oxysterol, 25‐hydroxylsterol competes with cholesterol and inhibits Fzd5 maturation and Wnt signaling, thereby alleviating PDAC growth. This cholesterol‐receptor interaction and ensuing receptor lipidation uncover a novel mechanism by which Fzd5 acts as a cholesterol sensor and pivotal connection coupling lipid metabolism to morphogen signaling. These findings further suggest that cholesterol‐targeting may provide new therapeutic opportunities for treating Wnt‐dependent cancers.
FOXM1 Inhibition Enhances the Therapeutic Outcome of Lung Cancer Immunotherapy by Modulating PD‐L1 Expression and Cell Proliferation
Authors: Madhi Hamadi , Lee Jeon‐Soo , Choi Young Eun , Li Yan , Kim Myoung Hee , Choi Yongdoo , Goh Sung‐Ho
Published: August 2022

Programmed death‐ligand 1 (PD‐L1) is a major target to cancer immunotherapy, and anti‐PD‐L1 and anti‐PD‐1 antibody‐mediated immunotherapy are being increasingly used. However, immune checkpoint inhibitors (ICIs) are ineffective in treating large tumors and cause various immune‐related adverse events in nontarget organs, including life‐threatening cardiotoxicity. Therefore, the development of new therapeutic strategies to overcome these limitations is crucial. The focus of this study is the forkhead box protein M1 (FOXM1), which is identified as a potential therapeutic target for cancer immunotherapy and is associated with the modulation of PD‐L1 expression. Selective small interfering RNA knockdown of FOXM1 or treatment with thiostrepton (TST) significantly reduces PD‐L1 expression in non‐small‐cell lung cancer (NSCLC) cells and inhibits proliferation. Chromatin immunoprecipitation‐PCR reveals that FOXM1 selectively upregulates PD‐L1 expression by binding directly to the PD‐L1 promoter. In vivo animal studies have shown that TST treatment significantly downregulates PD‐L1 expression in human NSCLC tumors, while greatly reducing tumor size without side effects on normal tissues. Combined treatment with TST and anti‐4‐1BB antibody in the LLC‐1 syngeneic tumor model induces synergistic therapeutic outcomes against immune resistant lung tumors as well as 2.72‐folds higher CD3+ T cells in tumor tissues compared to that in the anti‐4‐1BB antibody treatment group.
Synthesis of Large‐Area MXenes with High Yields through Power‐Focused Delamination Utilizing Vortex Kinetic Energy
Authors: Zhang Qingxiao , Fan Runze , Cheng Weihua , Ji Peiyi , Sheng Jie , Liao Qingliang , Lai Huirong , Fu Xueli , Zhang Chenhao , Li Hui
Published: August 2022

Evaluating the delamination process in the synthesis of MXenes (2D transition metal carbides and nitrides) is critical for their development and applications. However, the preparation of large defect‐free MXene flakes with high yields is challenging. Here, a power‐focused delamination (PFD) strategy is demonstrated that can enhance both the delamination efficiency and yield of large Ti3C2Tx MXene nanosheets through repetitive precipitation and vortex shaking processes. Following this protocol, a colloidal concentration of 20.4 mg mL–1 of the Ti3C2Tx MXene can be achieved after five PFD cycles, and the yield of the basal‐plane‐defect‐free Ti3C2Tx nanosheets reaches 61.2%, which is 6.4‐fold higher than that obtained using the sonication–exfoliation method. Both nanometer‐thin devices and self‐supporting films exhibit excellent electrical conductivities (≈25 000 and 8260 S cm‐1 for a 1.8 nm thick monolayer and 11 µm thick film, respectively). Hydrodynamic simulations reveal that the PFD method can efficiently concentrate the shear stress on the surface of the unexfoliated material, leading to the exfoliation of the nanosheets. The PFD‐synthesized large MXene nanosheets exhibit superior electrical conductivities and electromagnetic shielding (shielding effectiveness per unit volume: 35 419 dB cm2 g–1). Therefore, the PFD strategy provides an efficient route for the preparation of high‐performance single‐layer MXene nanosheets with large areas and high yields.
24.11% High Performance Perovskite Solar Cells by Dual Interfacial Carrier Mobility Enhancement and Charge‐Carrier Transport Balance
Authors: Zhang Yuhong , Xu Lin , Sun Jiao , Wu Yanjie , Kan Zitong , Zhang Huan , Yang Long , Liu Bin , Dong Biao , Bai Xue , Song Hongwei
Published: August 2022

The open‐circuit voltage (VOC) and fill factor (FF) of perovskite solar cells (PSCs) are detrimentally weakened by carrier loss at the perovskite/charge transport layers (CTLs) interfaces. Herein, a dual interfacial modification strategy via placing Nb2CTx nanosheets with tailored optoelectrical properties induced by manipulating surface terminal groups at both perovskite/CTLs interfaces is employed. Such tactics not only concurrently implement carrier mobility enhancement of CTLs and interface energy‐levels offsets reduction. More importantly, electrical simulation indicates that the Nb2CTx with O terminal groups located at grain boundaries of the perovskite layer, can more efficiently conduct hole current to the hole transport layer, therefore achieving charge‐carrier transport balance in device. As a result, the synergy effect effectively elevates both the VOC and FF of the cells, reaching maximum values of 1.253 V and 81.07%, respectively, finally delivering progressively increased device power conversion efficiency (PCE) of 24.11% with negligible hysteresis. This PCE value ranks in the highest values to date for PSCs employing MXenes materials. Moreover, the optimized devices show better thermal and light stability than control devices. This work demonstrates a simple and effective dual interfacial modification method utilizing Nb2CTx for photovoltaic field, involving photodetectors, light‐emitting diodes, sensors, etc.
Solvothermal liquefaction of waste polyurethane using supercritical toluene in presence of noble metal catalysts
Authors: Ghalandari Vahab , Banivaheb Soudeh , Peterson Jessica , Smith Hunter , Reza M. Toufiq
Published: August 2022

Solvothermal liquefaction (STL) is a thermochemical conversion method that uses sub‐or supercritical solvents to convert waste plastics like waste polyurethane (PU) into value‐added chemicals. This study aimed to evaluate catalytic STL utilizing toluene as a solvent for depolymerization of waste PU into valuable products. The effect of catalyst type (Pt/C, Pd/C, and Ru/C), catalyst loading (0–10 wt%), STL reaction temperature (330°C, 350°C, and 370°C), STL residence time (1, 3, and 5 h), and hydrogen loading (25, 50, and 75 bar) on STL conversion were studied. Results showed that Ru/C outperformed Pt/C and Pd/C and the STL conversion reached to as high as 87.2%. The concentrations of nitrogen‐containing components like aniline and p‐aminotoluene were increased with the increase of Ru/C loading and STL reaction temperature.
Rational screening of metal catalysts for selective oxidation of glycerol to glyceric acid from microkinetic analysis
Authors: Yan Hao , Li Shangfeng , Feng Xiang , Lu Jiarong , Zheng Xiuhui , Li Ruiying , Zhou Xin , Chen Xiaobo , Liu Yibin , Chen De , Shan Honghong , Yang Chaohe
Published: August 2022

Rational screening of efficient supported metal catalysts is still a great challenge due to the complicated reaction mechanism for selective polyol oxidation. Exemplifying glycerol oxidation to glyceric acid as a model reaction, we perform a DFT assisted descriptor based microkinetic modeling to reveal the underlying mechanism. It is found that the addition/formation of OH− could polarize the metal surface (M‐OH*) to regulate the d‐band center of Pt accompanied by the electron transfer from OH− to metal atoms, thus promoting the adsorption of glycerol. Moreover, the linear chemisorption energy and transition state energy scaling relations are well established on the formation energies of adsorbed C and O. Activity map obtained from descriptor based microkinetic analysis demonstrates that Pt and Ir metals exhibit the highest catalytic activity. Meanwhile, further analysis of the desorption energy and CC bond cleavage activation energy of glyceric acid product shows that Au and Pt metals display the optimal glyceric acid selectivity. Satisfactorily, these results from microkinetic analysis are in good agreement with the comparative experimental results. The insights revealed here may open a new avenue for rational design of transition metal catalysts in the bio‐polyol oxidation system.
The diverse pleiotropic effects of spliceosomal protein PUF60: A case series of Verheij syndrome
Authors: Fennell Andrew Paul , Baxter Anne Elizabeth , Berkovic Samuel Frank , Ellaway Carolyn Jane , Forwood Caitlin , Hildebrand Michael Stephen , Kumble Smitha , McKeown Colina , Mowat David , Poke Gemma , Rajagopalan Sulekha , Regan Brigid M. , Scheffer Ingrid Eileen , Stark Zornitza , Stutterd Chloe Alice , Tan Tiong Yang , Wilkins Ella Jane , Yeung Alison , Hunter Matthew Frank
Published: August 2022

Verheij syndrome (VRJS) is a rare craniofacial spliceosomopathy presenting with craniofacial dysmorphism, multiple congenital anomalies and variable neurodevelopmental delay. It is caused by single nucleotide variants (SNVs) in PUF60 or interstitial deletions of the 8q24.3 region. PUF60 encodes a splicing factor which forms part of the spliceosome. To date, 36 patients with a sole diagnosis of VRJS due to disease‐causing PUF60 SNVs have been reported in peer‐reviewed publications. Although the depth of their phenotyping has varied greatly, they exhibit marked phenotypic heterogeneity. We report 10 additional unrelated patients, including the first described patients of Khmer, Indian, and Vietnamese ethnicities, and the eldest patient to date, with 10 heterozygous PUF60 variants identified through exome sequencing, 8 previously unreported. All patients underwent deep phenotyping identifying variable dysmorphism, growth delay, neurodevelopmental delay, and multiple congenital anomalies, including several unique features. The eldest patient is the only reported individual with a germline variant and neither neurodevelopmental delay nor intellectual disability. In combining these detailed phenotypic data with that of previously reported patients (n = 46), we further refine the known frequencies of features associated with VRJS. These include neurodevelopmental delay/intellectual disability (98%), axial skeletal anomalies (74%), appendicular skeletal anomalies (73%), oral anomalies (68%), short stature (66%), cardiac anomalies (63%), brain malformations (48%), hearing loss (46%), microcephaly (41%), colobomata (38%), and other ocular anomalies (65%). This case series, incorporating three patients from previously unreported ethnic backgrounds, further delineates the broad pleiotropy and mutational spectrum of PUF60 pathogenic variants.
Paraxial Propagation Properties of Symmetric Dual Pearcey Gaussian Beams in Free Space
Authors: Fang Mingyue , Zhao Jiajia , Zhang Yixiao , Luo Jialing , Deng Dongmei
Published: August 2022

In this article, a new kind of symmetric dual Pearcey Gaussian beam (SDPGB) is introduced and their properties of auto‐focusing, self‐similarity, inversion, and self‐healing are discussed. The self‐similarity, the auto‐focusing, and the inversion properties of the propagating SDPGBs are turned out by analytical derivation and experimental observation. Additonally, a second‐order chirp factor for SDPGBs is introduced to investigate their secondary auto‐focusing and abrupt auto‐focusing properties in further detail. Finally, the effects of the obstacle diameter and the obstacle placement plane on the self‐healing of the SDPGBs are discussed.
Characterization of a Proposed Terminal Iron(III) Nitride Intermediate of Nitrogen Fixation Stabilized by a Trisphosphine‐Borane Ligand
Authors: Schild Dirk J. , Nurdin Lucie , Moret Marc‐Etienne , Oyala Paul H. , Peters Jonas C.
Published: August 2022

Terminal iron nitrides (Fe≡N) have been proposed as intermediates of Fe‐mediated nitrogen fixation, and well‐defined synthetic iron nitrides have been characterized in high oxidation states, including FeIV, FeV, and FeVI. This study reports the generation and low temperature characterization of a terminally bound iron(III) nitride, P3BFe(N) (P3B=tris(o‐diisopropylphosphinophenyl)borane), which is a proposed intermediate of iron‐mediated nitrogen fixation by the P3BFe‐catalyst system. CW‐ and pulse EPR spectroscopy (HYSCORE and ENDOR), supported by DFT calculations, help to define a 2A ground state electronic structure of this C3‐symmetric nitride species, placing the unpaired spin in a sigma orbital along the B−Fe−N vector; this electronic structure is distinct for an iron nitride. The unusual d5‐configuration is stabilized by significant delocalization (≈50 %) of the unpaired electron onto the axial boron and nitrogen ligands, with a majority of the spin residing on boron.
Intermolecular Metal‐Free Cyclopropanation and Aziridination of Alkenes with XH2(X=N, C) by Thianthrenation**
Authors: Liu Ming‐Shang , Du Hai‐Wu , Cui Jian‐Fang , Shu Wei
Published: August 2022

Three‐membered cyclic structures are widely existing in natural products and serve as enabling intermediates in organic synthesis. However, the efficient and straightforward access to such structures with diversity remains a formidable challenge. Herein, a general and practical protocol to aziridines and cyclopropanes synthesis using free XH2(X=C or N) with alkenes by thianthrenation is presented. This metal‐free protocol features the direct aziridination and cyclopropanation with unprotected XH2. Free sulfonamides, amides, carbamates, amines, and methylene with acidic protons, are good precursors, providing an attractive alternative for straightforward synthesis of aziridines and cyclopropanes from easily available starting materials.
A Metal‐Organic Framework with Nonpolar Pore Surfaces for the One‐Step Acquisition of C2H4from a C2H4and C2H6Mixture
Authors: Di Zhengyi , Liu Caiping , Pang Jiandong , Zou Shuixiang , Ji Zhenyu , Hu Falu , Chen Cheng , Yuan Daqiang , Hong Maochun , Wu Mingyan
Published: August 2022

Because C2H4plays an essential role in the chemical industry, economical and energy‐efficient separation of ethylene (C2H4) from ethane (C2H6) is extremely important. With the exception of energy‐intensive cryogenic distillation, there are few one‐step methods to obtain polymer‐grade (≥99.95 % pure) C2H4from C2H4/C2H6mixtures. Here we report a highly stable metal‐organic‐framework (MOF) FJI‐H11‐Me(des) (FJI‐H=Hong's group in Fujian Institute of Research on the Structure of Matter) which features one‐dimensional hexagonal nonpolar pore surfaces constructed by aromatic rings and alkyl groups. This FJI‐H11‐Me(des) adsorbs C2H6rather than C2H4between 273 and 303 K. Practical breakthrough experiments with C2H4containing 1 % C2H6have shown that FJI‐H11‐Me(des) can realize the acquisition in one‐step of polymer‐grade, 99.95 % pure C2H4under various conditions including different gas flow rates, temperatures and relative humidity.
Visible light‐triggered pyrazole‐functionalized reversible ionophore for selective monitoring of aluminium (III) ion
Authors: Roy Suvojit , Kundu Subhankar , Saha Subhajit , Muddukrishnaiah Kotakonda , Pramanik Rajib , Biswas Bhaskar
Published: August 2022

A photo‐switchable ionophore, (E)‐4‐([2‐hydroxy‐3‐methoxybenzylidene]amino)‐1,5‐dimethyl‐2‐phenyl‐1,2‐dihydro‐3H‐pyrazol‐3‐one (S1), was rationally designed and developed for the visible light‐triggered selective and efficient transport of Al (III) ions. The non‐fluorescent probe distinctly manifests its green light at 518 nm in presence of Al (III) ion upon irradiation at 405 nm and showed a turned‐off emission with EDTA in ethanol. The binding mode and structural perspective of S1 were assessed through X‐ray crystallography, spectrophotometry, spectrofluorimetry, 1H nuclear magnetic resonance (NMR) titration, electrospray ionization mass spectrometry (ESI‐MS) analysis and computational calculations, suggesting a 1:1 binding stoichiometry and a distorted tetrahedral coordination geometry of S1‐Al complex. The testing strip was also developed with S1 coating for colourimetric and naked‐eye detection of Al (III) ion as evident from the green fluorescence upon irradiation at 365 nm. Further, a bioimaging study of S1 in human colon living cells (HP‐29) revealed the presence of Al (III) ion through a bright green fluorescence in HP‐29, indicating the potentiality of S1 to trace Al (III) in living cells. Additionally, cytotoxicity studies by MTT assay and staining analysis ensured that the probe might be an efficient and sensitive chemosensor for monitoring Al (III) ion in drug delivery and biological applications.
Curing of an epoxy adhesive with fixed‐frequency microwaves in the presence of a microwave absorber (activated carbon) and with the variable frequency microwave method
Authors: Horikoshi Satoshi , Arai Yuhei , Mura Haruka , Serpone Nick
Published: August 2022

This study examines the curing characteristics of an epoxy resin adhesive mixed with activated carbon (AC) particulates as the microwave absorption heating element (MAHE) using a non‐fluctuating microwave irradiation device consisting of a semiconductor microwave generator and a single‐mode applicator. The advantages of the microwave curing method are the more rapid heating of the epoxy resin adhesive and the associated reduction in curing time. However, problems arose unique to microwave heating as the AC particulates formed aggregates as a result of the microwaves' electric field (E‐field), which also led to a temperature distribution greater than 100°C generated in the epoxy resin adhesive. This problem could not be resolved by commercial microwave chemical equipment. Resolution of the problem was achieved using a variable frequency microwave (VFM) irradiation method using a semiconductor generator; high‐speed electrical diffusion of the E‐field was performed to irradiate with an average electric field without fluctuations. This achieved a uniform curing of the adhesive containing the MAHE particulates using the VFM method, which also proved effective in preventing adhesive ignition accidents. E‐field was performed to irradiate with an average electric field without fluctuations. This achieved a uniform curing of the adhesive containing the MAHE particulates using the VFM method, which also proved effective in preventing adhesive ignition accidents.
Osteohistology of Dromornis stirtoni (Aves: Dromornithidae) and the biological implications of the bone histology of the Australian mihirung birds
Authors: Chinsamy Anusuya , Handley Warren D. , Worthy Trevor H.
Published: August 2022

The late Miocene Dromornis stirtoni is the largest of the giant flightless dromornithid birds. Here, we studied 22 long bones (femora, tibiotarsi, tarsometatarsi) of D. stirtoni to assess its osteohistology to deduce various aspects of its life history. Our results show that D. stirtoni took several years (likely, more than a decade), to reach adult body size, after which its growth rate slowed down, and skeletal maturity occurred. This growth strategy differs from that of its Pleistocene relative, Genyornis newtoni, which experienced faster rates of growth to reach adult body size. We propose that these mihirung birds, separated by millions of years, each responded to the prevailing environmental conditions of the time, by selecting for different growth strategies, with D. stirtoni having an extreme K‐selected life history strategy. The presence of medullary bone permitted the identification of female D. stirtoni specimens, and its presence in some bones lacking an OCL layer showed sexual maturity preceded its formation. We postulate that while G. newtoni had a somewhat greater reproductive potential than D. stirtoni, it remained far less than that observed in the extant emu (Dromaius novaehollandiae). Genyornis newtoni survived into the late Pleistocene alongside extant emus and overlapped the arrival of the first humans in Australia, but the former species shortly thereafter became extinct while emus remain prolific.
Design, synthesis, acetylcholinesterase, butyrylcholinesterase, and amyloid‐β aggregation inhibition studies of substituted 4,4ʹ‐diimine/4,4ʹ‐diazobiphenyl derivatives
Authors: Fidan Görkem S. , Parlar Sulunay , Tarikogullari Ayse H. , Alptuzun Vildan , Alpan Ayşe S.
Published: August 2022

A series of 4,4′‐diimine/4,4′‐diazobiphenyl derivatives were designed, synthesized, and evaluated for their ability to inhibit both the acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes, as well as Aβ1–42 aggregation, in vitro. The AChE and BChE inhibition assays demonstrated that all compounds displayed moderate AChE inhibitory activity in the range of IC50 = 5.77–16.22 μM, while they displayed weak or no BChE inhibition. Among the title compounds, compound 2l, 4,4′‐bis(quinolin‐8‐yldiazenyl)‐1,1′‐biphenyl, having a diazo‐quinoline moiety demonstrated the most potent inhibition against AChE with an IC50 value of 5.77 μM. Furthermore, diazo derivatives 2d, 4,4′‐bis[(4‐methoxyphenyl)diazenyl]‐1,1′‐biphenyl, and 2i, 4,4′‐bis(pyridin‐3‐yldiazenyl)‐1,1′‐biphenyl, provided better potency on Aβ1–42 aggregation, with an inhibition value of 74.08% and 78.39% at 100 μM and 55.35% and 61.36% at 25 μM, respectively. Molecular modeling studies were carried out for the most active compound against AChE, compound 2l. All the results suggested that compounds 2d and 2i have better inhibitory potencies on Aβ1–42 aggregation and moderate AChE enzyme activity, and therefore can be highlighted as promising compounds.
Assessing and choosing the optimum blend of biodiesel, hydrogenated vegetable oil, and petroleum diesel based on sustainability in Indonesia
Authors: Syauqi Ahmad , Halimatussadiah Alin , Purwanto Widodo Wahyu
Published: August 2022

The trend towards increasing biofuel blending mandates in several countries has raised a sustainability trilemma, especially for biofuels derived from palm oil. This study aims to find the most sustainable hydrogen production technology for the production of hydrogenated vegetable oil (HVO) and biofuel blending. It assesses the sustainability of palm‐oil‐derived biofuel blending of biodiesel (FAME), HVO, and petroleum diesel. There are three hydrogen production options for HVO: steam methane reforming (SMR), biomass gasification (BG), and electrolysis from solar energy (PVELC). The use of any production option depends on a combination of fuel quality standards and the prioritized sustainability considerations. The fuel quality aspects consist of constraints on the quality of the blend based on EURO‐2, EURO‐4, and EURO‐5 fuel standards, while sustainability priorities lead to varying policy preferences involving economic, environmental, and social sustainability considerations. There are two approaches to determine the most sustainable blend: using the Technique for Order Preference by Similarity to Ideal Solution (TOPSIS) method and using the sustainability index. The results show that scenarios that favor the economic dimension tend to produce a higher FAME blend, whereas those that prioritize the environment emphasize higher HVO blending with PVELC as the hydrogen production technology. Finally, any scenario that prefers the social aspects tends to produce higher biofuel blending. Overall, to achieve higher sustainability, higher biofuel blending is needed. The policy analysis section concludes that the biofuel policy direction should focus more on combining HVO and FAME so that each can offset the disadvantages of the other. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd.
Business environmental innovation and CO2 emissions: The moderating role of environmental governance
Authors: Albitar Khaldoon , Borgi Hela , Khan Muzammal , Zahra Anum
Published: August 2022

This paper examines the effects of environmental innovation on CO2 emissions as well as the moderating role of environmental governance in this relationship. Based on a sample of companies listed on the London Stock Exchange for the period from 2016 to 2020, the findings show that environmental innovation reduces CO2 emissions including Scope 1 and Scope 2 CO2 emissions. Likewise, our findings are associative of a moderating effect of environmental governance on the environmental innovation‐CO2 emissions nexus. We argue that environmental innovation along with better environmental governance leads to a reduction in CO2 emissions. Our results hold for subsamples of firms with a strong/low environmental governance and ESG performance. Our findings offer important implications for companies and policymakers towards adopting more environmental technologies along with enhancing environmental governance to reduce CO2 emissions.
Managing sustainability—Does the integration of environmental, social and governance key performance indicators in the internal management systems contribute to companies' environmental, social and governance performance?
Authors: Gebhardt Maria , Thun Toni W. , Seefloth Marcel , Zülch Henning
Published: August 2022

Assessing whether a company is sustainable or not is challenging for investors. For this reason, it is particularly important how companies integrate and manage sustainability. This paper primarily aims to investigate the effects of implementing environmental, social and governance (ESG) key performance indicators (KPIs) in the internal management system (IMS) on ESG performance. Further, the effect of a consistent use of ESG KPIs in the IMS and the management compensation scheme (MCS) on ESG performance is examined. Using hand‐collected data of the largest German‐listed companies, this study employs t tests for differences in means and ordinary least square (OLS) regressions to study these associations. The results indicate that the implementation of ESG KPIs in the IMS increases ESG performance. In addition, the performance for environmental and social sub‐dimensions is enhanced. No significant influence of a consistent use of ESG KPIs in the IMS and the MCS on ESG performance is observed. The results highlight that implementing ESG KPIs in the IMS is a practical approach to manage sustainability and to increase ESG performance. Our findings have practical and theoretical implications for researchers, regulators and companies considering the integration of sustainability and further communicating transparently and strengthening investor trust.
Protein G: β‐galactosidase fusion protein for multi‐modal bioanalytical applications
Authors: Motabar Dana , Wang Sally , Tsao Chen‐Yu , Payne Gregory F. , Bentley William E.
Published: August 2022

β‐galactosidase (β‐gal) is one of the most prevalent markers of gene expression. Its activity can be monitored via optical and fluorescence microscopy, electrochemistry, and many other ways after slight modification using protein engineering. Here, we have constructed a chimeric version that incorporates a streptococcal protein G domain at the N‐terminus of β‐gal that binds immunoglobins, namely IgG. This protein G: β‐galactosidase fusion enables β‐gal‐based spectrophotometric and electrochemical measurements of IgG. Moreover, our results show linearity over an industrially relevant range. We demonstrate applicability with rapid spectroelectrochemical detection of IgG in several formats including using an electrochemical sensing interface that is rapidly assembled directly onto electrodes for incorporation into biohybrid devices. The fusion protein enables sensitive, linear, and rapid responses, and in our case, makes IgG measurements quite robust and simple, expanding the molecular diagnostics toolkit for biological measurement.
Chemoenzymatic Labeling to Visualize Intercellular Contacts Using Lipidated SortaseA**
Authors: Yamaguchi Satoshi , Ikeda Ryosuke , Umeda Yuki , Kosaka Takahiro , Yamahira Shinya , Okamoto Akimitsu
Published: August 2022

Methods to label intercellular contact have attracted attention because of their potential in cell biological and medical applications for the analysis of intercellular communications. In this study, a simple and versatile method for chemoenzymatic labeling of intercellularly contacting cells is demonstrated using a cell‐surface anchoring reagent of a poly(ethylene glycol)(PEG)‐lipid conjugate. The surface of each cell in the cell pairs of interest were decorated with sortase A (SrtA) and triglycine peptide that were lipidated with PEG‐lipid. In the mixture of the two‐cell populations, the triglycine‐modified cells were enzymatically labeled with a fluorescent labeling reagent when in contact with SrtA‐modified cells on a substrate. The selective labeling of the contacting cells was confirmed by confocal microscopy. The method is a promising tool for selective visualization of intercellularly contacting cells in cell mixtures for cell‐cell communication analysis.
Chrysin sensitizes osteosarcoma cells against TRAIL‐induced apoptosis
Authors: Xie Bin , Yang JunQi , Zhang Jun
Published: August 2022

Identifying novel curative and preventive approaches that can specifically target the osteosarcoma cells (OS) without affecting the normal cells is appreciable. The aim of this study is to investigate the combined effect of chrysin as an apigenin analog with high therapeutic potential and tumor necrosis factor‐related apoptosis‐inducing ligand (TRAIL) on the treatment of Saos‐2 and MG‐63 cells. Cell viability were determined using MTT method. The rate of apoptosis was assessed by enzyme‐linked immunosorbent assay (ELISA) cell death assay and caspase 8 activity assays. The messenger RNA (mRNA) and protein evaluation of candidate genes include Bcl‐2, XIAP, c‐IAP1, c‐IAP2, and c‐FLIP were accomplished before and after the treatment by quantitative real‐time polymerase chain reaction (PCR) and Western blot analysis, respectively. Our results showed that chrysin synergistically increased the cytotoxic effects of TRAIL as follows: Chrysin plus TRAIL > TRAIL > Chrysin. Chrysin could sensitize both cells against the TRAIL‐induced apoptosis, amplify the caspase 8 activity and this outcome is achieved by decreasing the expression levels of antiapoptotic genes. Our findings suggest that Chrysin can sensitize the OS cell lines against TRAIL through induction of the death receptor pathway. Moreover, the combinational therapy of these agents might be the promising therapeutic regimen for improving the clinical efficacy of TRAIL‐induced apoptosis in patients with OS.
Controllable Reactivity Tuned by the Cooperativity in B/P and B/N Intermolecular Frustrated Lewis Pairs
Authors: Wu Panpan , Mao Hui , Chen Zijiang , Cheng Longjiu , Wang Kun
Published: August 2022

Frustrated Lewis pairs (FLPs) are able to heterolytically split hydrogen through the centers of Lewis acid (LA) and Lewis base (LB). In this study, seven typical B/N or B/P intermolecular FLPs composed of LA/LB with different acidity/basicity were selected and designed, where FLPs composed of soft strong LA and hard moderate LB appear to offer best activity and reversibility in hydrogenation. It has been demonstrated that the cooperativity between LA and LB determines the catalytic performance in hydrogen activation. There are two different mechanisms in hydrogenation of FLPs including direct synergetic pathway and single‐electron transfer pathway. For the synergetic mechanism, there are four‐step pathways in hydrogenation dominated by the acidity of the FLPs, while the reversible dehydrogenation is triggered by the isomerization of LB of the FLPs. But for FLPs composed of very weak LA or LB, accelerating single‐electron transfer is an effective method to enhance the reactivity. These results are helpful in designing and synthesizing FLPs with better catalysis efficiency in the field of hydrogen storage or asymmetric hydrogenation.
Intrinsic Regularity of Catalytic Cobalt Chalcogenides in Lithium‐Sulfur Battery: Theoretical Study Delivers New Insights
Authors: Zhang Qi , Zhang Hui‐Ru , Hu Ping‐Ao , Wu Yu‐Cheng
Published: August 2022

Cobalt chalcogenides CoX2 (X=S, Se, Te) render great performance of lithium‐sulfur batteries based on catalytic capacity to alleviate shuttle effect. Given that S/Se/Te belong to the same main group, the outstanding cycling stability delivered by CoTe2 aroused the curiosity about the uniqueness of CoTe2 and intrinsic laws of cobalt chalcogenide. Herein, comprehensive theoretical study delivers new insights into the intrinsic laws of CoX2: the relative vertical distance of two X atomic layers (rather than atom electronegativity) mainly controls adsorption; CoX2 mainly regulates the charging process (rather than discharging process) thus contributes to great cycling stability. On this basis, the advantages of CoTe2 are three‐fold: moderate polysulfide adsorption, facile ion transport capacity, and surprisingly great promotion of charging process. It is hope the results will facilitate the development of cobalt chalcogenides, especially tellurides as catalytic material in lithium sulfur batteries.
Recent Advances in DNA‐Based Cell Surface Engineering for Biological Applications
Authors: Li Lexun , Liu Shuang , Zhang Chunjuan , Guo Zhenzhen , Shao Shuxuan , Deng Xiaodan , Liu Qiaoling
Published: August 2022

Due to its excellent programmability and biocompatibility, DNA molecule has unique advantages in cell surface engineering. Recent progresses provide a reliable and feasible way to engineer cell surfaces with diverse DNA molecules and DNA nanostructures. The abundant form of DNA nanostructures has greatly expanded the toolbox of DNA‐based cell surface engineering and gave rise to a variety of novel and fascinating applications. In this review, we summarize recent advances in DNA‐based cell surface engineering and its biological applications. We first introduce some widely used methods of immobilizing DNA molecules on cell surfaces and their application features. Then we discuss the approaches of employing DNA nanostructures and dynamic DNA nanotechnology as elements for creating functional cell surfaces. Finally, we review the extensive biological applications of DNA‐based cell surface engineering and discuss the challenges and prospects of DNA‐based cell surface engineering.