bluuebunny/crossref_metadata_2025_split huggingface dataset:
Covalent Organic Frameworks for Energy Conversion in Photocatalysis
Authors: He Ting , Zhao Yanli 
Published: April 2023

AbstractIntensifying energy crises and severe environmental issues have led to the discovery of renewable energy sources, sustainable energy conversion, and storage technologies. Photocatalysis is a green technology that converts eco‐friendly solar energy into high‐energy chemicals. Covalent organic frameworks (COFs) are porous materials constructed by covalent bonds that show promising potential for converting solar energy into chemicals owing to their pre‐designable structures, high crystallinity, and porosity. Herein, we highlight recent progress in the synthesis of COF‐based photocatalysts and their applications in water splitting, CO2reduction, and H2O2production. The challenges and future opportunities for the rational design of COFs for advanced photocatalysts are discussed. This Review is expected to promote further development of COFs toward photocatalysis.
Ru(II) and Ru(III) complexes containing N‐acylthiourea ligands: Supramolecular structures and synthons, reduction, and reaction pathway of aromatic nitro compounds
Authors: Uysal Muhammet Ebubekir , Solmaz Ummuhan , Arslan Hakan 
Published: April 2023

Four ruthenium complexes {[RuCl(CO)(PPh3)2L1], [RuCl(CO)(PPh3)2L2], [RuCl2(PPh3)2L1] and [RuCl2(PPh3)2L2]} supported with N‐acylthiourea‐based ligands were synthesized. The compounds prepared were characterized by 1H NMR, 13C NMR, elemental analysis, UV–vis, and magnetic susceptibility methods. The characterization of the molecular structure of two ruthenium complexes {[RuCl(CO)(PPh3)2L1] and [RuCl2(PPh3)2L1]} was also performed using the single crystal X‐ray diffraction method. Single crystal X‐ray analyses indicates the existence of different non‐covalent interactions between different parts of the molecules, which led to the formation of three‐dimensional supramolecular architectures and synthons. The magnetic susceptibility and UV‐vis spectra of the prepared ruthenium complexes propose that they are of low‐spin states, where Ru(II) is d6 and Ru(III) is d5 low spin. These ruthenium compounds functioned as catalysts for the NaBH4‐mediated reduction of various nitro compounds. The catalytic results show that the [RuCl2(PPh3)2L] type complexes exhibit higher catalytic activity than the [RuCl(CO)(PPh3)2L] type complexes, and [RuCl2(PPh3)2L1] has high catalytic selectivity and efficiency in a short time (>99 yield with catalyst loading 0.01 mol in 0.5 h). Furthermore, the catalytic activity of [RuCl2(PPh3)2L1] was investigated using nitrobenzene as a model substrate to understand the reaction pathway, and this study proved that this nitro reduction proceeds via a direct pathway, with the formation of N‐hydroxylamine as the main intermediate followed by the occurrence of aniline.
Bio‐based flame‐retardant rigid polyurethane foam with high content of soybean oil polyols containing phosphorus
Authors: Wang Shuai , Yang Fukai , Sun Wei , Xu Xinyu , Deng Yuyuan 
Published: April 2023

AbstractRigid polyurethane foam (RPUF) is prepared from petroleum‐based polyols and isocyanate, which consumes a large amount of petroleum. To alleviate the consumption of petroleum, it is necessary to synthesize green and sustainable polyols. However, the greatest disadvantage of RPUF is its flammability. To reduce the risk of fire caused by RPUF, phosphorylated soybean oil polyol (Polyol‐P) and phenyl phospho‐soybean oil polyol (Polyol‐PPOA) were synthesized by ring‐opening reactions of epoxy soybean oil with phosphoric acid and phenylphosphonic acid, respectively. A flame‐retardant RPUF was prepared via polymeric 4,4‐diphenylmethane diisocyanate (p‐MDI), which reacted after mixing Polyol‐P and Polyol‐PPOA with polyether polyol‐330N in different proportions. Scanning electron microscopy (SEM) showed that the cell sizes of the RPUF‐P and RPUF‐PPOA increased first and then decreased and the cell number decreased first and then increased with the increase in the contents of Polyol‐P and Polyol‐PPOA. Mechanical property tests showed that the compressive strength of the RPUF‐P4 reached 0.1 MPa, and the compressive strength of the RPUF‐PPOA4 reached 0.07 MPa. The limiting oxygen index values of the RPUF‐P4 and RPUF‐PPOA4 were 20.9% and 24.3%, respectively. The UL 94 of the RPUFs indicated that the rating of the RPUF‐PPOA3 was improved to V‐1. The results showed that the flame‐retardancy mechanism of the Polyol‐P and Polyol‐PPOA in the RPUF was based on the charred surface as a physical barrier, which slowed down the decomposition of RPUF and prevented heat and mass transfer between the gas and the condensed phase.
Feasibility of a self‐sustaining microbial fuel cell incorporating natural processes of bacteria and microalgae towards a circular bioeconomy
Authors: Yahampath Arachchige Don Chamath D. Y. , Babel Sandhya 
Published: April 2023

AbstractA microbial fuel cell (MFC) consisting of a bacterial anode chamber and a microalgal cathode chamber was operated under various conditions to assess its technical feasibility. Maximum achievable power density reached up to 7.13 mW m–2. The traditional MFC process of conversion of carbon sources to bioelectricity in the anodic chamber was compared with a system circulating anodic effluent to the cathode chamber. The bacteria and microalgae simultaneously carried out the carbon recycling and recovery of energy and resources synergizing the performance of MFC. Results indicated a comparable chemical oxygen demand removal efficiencies at 50% of the retention time compared to the traditional system. The dissolved oxygen concentration varied between 11.95 and 7.44 mg L–1 with Chlorella vulgaris under alternative light and dark cycles. Despite the variations in electricity output, the system showed its technical feasibility to harness energy for photosynthesis under natural sunlight conditions.
Magnetic Domain Change Induced by In‐Plane Electric Polarization Switching in Bi(Fe, Co)O3 Thin Film
Authors: Shigematsu Kei , Katsumata Marin , Itoh Takuma , Ozawa Keita , Shimizu Haruki , Shimizu Keisuke , Azuma Masaki 
Published: April 2023

AbstractPerovskite BiFe0.9Co0.1O3 with electric‐field‐induced magnetization reversal is a promising material for low‐power non‐volatile memory devices because spontaneous magnetization perpendicular to the electric polarization can be reversed by out‐of‐plane polarization reversal. In this study, magnetic and ferroelectric domain changes in BiFe0.9Co0.1O3 after applying an in‐plane electric field with counter electrodes fabricated by lithography is investigated. Electric poling can be performed up to 100 times via 71° polarization switching without disrupting the ferroelectric domains. It is determined that the correlation between the ferroelectric and magnetic domains is preserved, while in‐plane 71° polarization switching without reconstructing the ferroelectric domains does not change its out‐of‐plane magnetization. Lastly, possible differences in the antiferromagnetic spin vector and magnetization direction for in‐plane and out‐of‐plane 71° switching is discussed.
Novel Insights of Enhanced Magnetization and Magnetoelectric Coupling in the Nanocomposite of BiFeO3 with Lanthanum Strontium Manganite
Authors: Parvathy N. S. , Govindaraj R. 
Published: April 2023

AbstractNovel insights on the magnetic, ferroelectric and magnetoelectric coupling of the nano composites of BiFeO3 (BFO) and La0.7Sr0.3Mn0.95Fe0.05O3 (LSMFO) with the latter exhibiting colossal magnetoresistance (CMR) behavior are provided in this study for the first time. Appreciable magnetoelectric coupling is observed in the composite and is seen to be significantly varying at temperatures below the blocking temperature of LSMFO. The local structure and magnetic properties of both the BFO and LSMFO particles in the composite are investigated in a detailed manner using Mössbauer spectroscopy studies specially devised to address the problem concerned. Enhanced values of the effective magnetic fields are observed at the Fe sites associated with BFO particles which are in contact with LSMFO particles. Interestingly, an appreciable increase in the magnetic hyperfine fields at Fe sites corresponding to LSMFO is also observed in the nanocomposites. New insights are derived based on the results of Mössbauer studies toward comprehending the magnetic and magnetoelectric coupling effects as deduced in these composites.
Unconventional Charge‐Two Weyl Phonons in High‐Symmetry Lines
Authors: Yang Xiang‐Feng , Liu Qing‐Bo , Wang Zhe‐Qi , Fu Hua‐Hua 
Published: April 2023

AbstractWeyl phonons have long been regarded as an important kind of topological bosonic quasiparticle states. Previous investigations in this field mainly focus on Weyl phonons located at high‐symmetry points (HSPs) in Brillouin zone (BZ), while those located at high‐symmetry lines (HSLs, not including HSPs) are still rarely studied. Considering that their symmetry‐protected conditions are much different, we name them conventional and unconventional Weyl phonons, respectively. In this work, taking charge‐two Weyl phonons (CTWPs) as examples, the complete classifications of all unconventional CTWPs is summarized by performing symmetry analysis in all 230 space groups (SGs). Moreover, due to their different phononic dispersions, the unconventional CTWPs can be classified as Type‐I, Type‐II, and Type‐III ones. Particularly, thek·pmodel of unconventional CTWPs shows ak‐type feature along the invariant lines while ak2‐type feature along other directions. Additionally, we uncover that a real chiral crystal material, that is, CsBe2F5in SG 213, can exhibit well‐defined Type‐I and Type‐II unconventional CTWPs characterized by multiple double‐helicoid surface states. Our theoretical work not only puts forward an effective way for seeking for unconventional CTWPs, but also uncover the unique advantages of this kind of CTWPs toward realistic device applications.
Enhanced Energy Storage Properties in Paraelectrics via Entropy Engineering
Authors: Lan Shun , Meng Fanqi , Yang Bingbing , Wang Yue , Liu Yiqian , Dou Lvye , Yang Letao , Pan Hao , Kong Xi , Ma Jing , Shen Yang , Nan Ce‐Wen , Lin Yuan‐Hua 
Published: April 2023

AbstractElectrostatic energy storage capacitors based on dielectrics have attracted much attention due to their wide applications in advanced electrical technology and electronic devices. Generally, high energy density is achieved at a high electric field, while conduction loss becomes nonnegligible, which harms practical applications. Here distinctly suppressed leakage current in BaZr0.5Ti0.5O3‐based films by entropy engineering is realized. With increased entropy, the leakage current density decreases by two orders of magnitude at the electric field of 3 MV cm−1, leading to a markedly improved energy efficiency of 87% at an ultrahigh breakdown strength of 8 MV cm−1 in high‐entropy films. Thereby, a high energy density of 51.9 J cm−3 is achieved. This work demonstrates the effectiveness of entropy engineering in improving the breakdown strength of dielectric films and shows great potential in enhancing the energy storage performance of capacitors.
Thermoelectric Borides: Review and Future Perspectives
Authors: Saglik Kivanc , Mete Busra , Terzi Ilayda , Candolfi Christophe , Aydemir Umut 
Published: April 2023

AbstractThe conversion of waste heat into electricity plays a vital role in energy harvesting since conventional non‐renewable energy sources have been rapidly approaching the limit of utilization. The thermoelectric (TE) technology relies on converting temperature difference (or waste heat) into electricity or vice versa. The performance of TE materials is gauged byzT=S2T/ρκ, where S,ρ,κ, andTrepresent the Seebeck coefficient, the electrical resistivity, the total thermal conductivity, and the absolute temperature, respectively. Boron‐based compounds are considered refractory materials due to their high melting points and advanced chemical and mechanical stability. Besides high thermal stability, many borides exhibit intrinsically low thermal conductivity. The discovery of good TE efficiency in boron carbides, where unexpectedly high Seebeck coefficients (S(T) ≈ 250 µVK−1) are observed at high charge carrier densities (≈1021cm−3), has induced an intense curiosity for the TE properties of other boron‐based compounds. Intermetallic borides with high boron content (>65 at%) are of particular interest among all known TE materials due to their great potential in TE generators, which can operate under extreme environmental conditions (T> 1000 K). This article reviews the TE properties of borides and state‐of‐art TE materials upon boron/borides doping.
Traditional Chinese medicine in human diseases treatment: New insights of their potential mechanisms
Authors: Zhang Shan‐Qiang , Jiang Xin‐Xin , Li Ji‐Cheng 
Published: April 2023

AbstractFor millennia, traditional Chinese medicine (TCM) has relieved the pain of countless patients with its unique theory and treatment method, which has provoked researchers' interest for exploring the biological and molecular mechanisms. This special issue highlights recent advances of this ancient and mysterious medical system in the basic science research field. The authors in this volume explored the molecular characteristics of TCM syndromes and the disease‐resistant mechanisms of acupuncture and Chinese herbs in the diseases effecting the human motor system, digestive system, nervous system, and other organ systems by applying high‐throughput omics technologies, molecular biology experiments, animal models and other methods. Alongside enhancing their perception of TCM from these latest findings, readers can also understand how to cross the systematic theory of TCM with modern molecular biology techniques. These studies advance our understanding of the potential mechanisms of TCM in treating human diseases, and also provide inspiration for the development of novel TCM‐based therapeutic strategies. We hope these efforts will promote extensive development in TCM research.
Copper(I)‐catalysed synthesis of symmetrical perfluoroterphenyl analogues; fluorescence, antioxidant and molecular docking studies
Authors: Alqahtani Alaa M. , Abumelha Hana M. , Alnoman Rua B. , Abualnaja Matokah M. , Alsharief Hatun H. , Hameed Ahmed , Almontshery Abdalaziz M. , El‐Metwaly Nashwa M. 
Published: April 2023

AbstractPentafluoroaryl analogues have been found to exhibit para specific nucleophilic aromatic substitution (SNAr). Herein, we describe the use of SNAr chemistry to create luminous perfluorinated symmetrical terphenyls. Both of SNAr chemistry and copper(I)‐catalysed decarboxylative cross‐coupling were applied for the synthesis of the perfluorinated symmetrical terphenyls in high yields from the corresponding derivatives of aryl iodide and potassium salt of fluorobenzoate. A series of perfluorinated symmetrical terphenyls with different para alkoxy chains were synthesized. The synthesized perfluorinated terphenyl adducts were confirmed via elemental analysis, Fourier‐transform infrared (FTIR), proton (1H) carbon‐13 (13C) and fluorine‐19 (19F) nuclear magnetic resonance (NMR) spectra. The absorbance and fluorescence spectra showed solvatochromic activities. The new synthesized fluoroterphenyl hybrids were screened against antioxidant inspection over DPPH (2,2‐diphenyl‐1‐picrylhydrazyl) performance, in assessment of vitamin C and butylated hydroxytoluene (BHT) as standard drugs exposed that fluoroterphenyl hybrid covering decyl hydrocarbons exhibited highest effectiveness through half maximal inhibitory concentration (IC50) values of 21.74 μg/ml. Additionally, molecular docking procedures of the synthesized fluoroterphenyl hybrids were employed by using protein data bank (PDB ID: 5IKQ). The docking simulation displayed convenient and recognized findings with the antioxidant examination.
Process economics evaluation and optimization of adeno‐associated virus downstream processing
Authors: Lyle Annabel , Stamatis Christos , Linke Thomas , Hulley Martyn , Schmelzer Albert , Turner Richard , Farid Suzanne S. 
Published: April 2023

AbstractAdeno‐associated virus (AAV) manufacturing has traditionally focused upon lab‐scale techniques to culture and purify vector products, leading to limitations in production capacity. The tool presented in this paper assesses the feasibility of using non‐scalable technologies at high AAV demands and identifies optimal flowsheets at large‐scale that meet both cost and purity targets. The decisional tool comprises (a) a detailed process economics model with the relevant mass balance, sizing, and costing equations for AAV upstream and downstream technologies, (b) a built‐in Monte Carlo simulation to assess uncertainties, and (c) a brute‐force optimization algorithm for rapid investigation into the optimal purification combinations. The results overall highlighted that switching to more scalable upstream and downstream processing alternatives is economically advantageous. The base case analysis showed the cost and robustness advantages of utilizing suspension cell culture over adherent, as well as a fully chromatographic purification platform over batch ultracentrifugation. Expanding the set of purification options available gave insights into the optimal combination to satisfy both cost and purity targets. As the purity target increased, the optimal polishing solution moved from the non‐capsid purifying multimodal chromatography to anion‐exchange chromatography or continuous ultracentrifugation.
Development and Characterization of Selective FAK Inhibitors and PROTACs with In Vivo Activity
Authors: Koide Eriko , Mohardt Mikaela L. , Doctor Zainab M. , Yang Annan , Hao Mingfeng , Donovan Katherine A. , Kuismi Christina C. , Nelson Alissa J. , Abell Kathryn , Aguiar Mike , Che Jianwei , Stokes Matthew P. , Zhang Tinghu , Aguirre Andrew J. , Fischer Eric S. , Gray Nathanael S. , Jiang Baishan , Nabet Behnam 
Published: April 2023

AbstractFocal adhesion kinase (FAK) is an attractive drug target due to its overexpression in cancer. FAK functions as a non‐receptor tyrosine kinase and scaffolding protein, coordinating several downstream signaling effectors and cellular processes. While drug discovery efforts have largely focused on targeting FAK kinase activity, FAK inhibitors have failed to show efficacy as single agents in clinical trials. Here, using structure‐guided design, we report the development of a selective FAK inhibitor (BSJ‐04‐175) and degrader (BSJ‐04‐146) to evaluate the consequences and advantages of abolishing all FAK activity in cancer models. BSJ‐04‐146 achieves rapid and potent FAK degradation with high proteome‐wide specificity in cancer cells and induces durable degradation in mice. Compared to kinase inhibition, targeted degradation of FAK exhibits pronounced improved activity on downstream signaling and cancer cell viability and migration. Together, BSJ‐04‐175 and BSJ‐04‐146 are valuable chemical tools to dissect the specific consequences of targeting FAK through small‐molecule inhibition or degradation.
Discovery and Biosynthesis of Ureidopeptide Natural Products Macrocyclized via Indole N‐acylation in Marine Microbulbifer spp. Bacteria
Authors: Zhong Weimao , Deutsch Jessica M. , Yi Dongqi , Abrahamse Nadine H. , Mohanty Ipsita , Moore Samuel G. , McShan Andrew C. , Garg Neha , Agarwal Vinayak 
Published: April 2023

AbstractCommensal bacteria associated with marine invertebrates are underappreciated sources of chemically novel natural products. Using mass spectrometry, we had previously detected the presence of peptidic natural products in obligate marine bacteria of the genus Microbulbifer cultured from marine sponges. In this report, the isolation and structural characterization of a panel of ureidohexapeptide natural products, termed the bulbiferamides, from Microbulbifer strains is reported wherein the tryptophan side chain indole participates in a macrocyclizing peptide bond formation. Genome sequencing identifies biosynthetic gene clusters encoding production of the bulbiferamides and implicates the involvement of a thioesterase in the indolic macrocycle formation. The structural diversity and widespread presence of bulbiferamides in commensal microbiomes of marine invertebrates point toward a possible ecological role for these natural products.
Promising applications of red cell distribution width in diagnosis and prognosis of diseases with or without disordered iron metabolism
Authors: Yang Yashuang , Wang Quanshu , Gao Ling , Liu Sijin , Zhao Jiajun , Liu Guoliang , Zhang Shuping 
Published: April 2023

AbstractMany indicators, including red cell distribution width (RDW) and iron metabolism, are sensitive to a variety of risk factors, and are associated with the pathological alterations and disease onset. RDW reflects the degree of heterogeneous volumes of peripheral red blood cells (RBCs). It has been well‐known that increased RDW indicates iron deficiency anemia, hemolytic anemia, ineffective erythropoiesis, and shorten lifespan of RBCs. Increased RDW is also prevalent in various non‐anemic pathological conditions and diseases. We here review the factors affecting RDW, particularly disordered iron metabolism, chronic inflammation, and oxidative stress, and recapitulate the interplays among these factors. Furthermore, we review the application of increased RDW together with disordered iron homeostasis and the deregulations of hepcidin expression and ferritin levels in the diagnoses and prognosis of anemic and nonanemic diseases. RDW is inexpensive and readily available and may be valuable in adding to the diagnosis and monitoring of many pathological conditions. RDW combined with other indicators, for example, hepcidin and ferritin levels, should be utilized more frequently in clinical practice.
Anagrelide‐induced pericardial effusion in a patient with essential thrombocythemia
Authors: Song David , Shabani Jawad , Jaiswal Vikash , Paudel Kusum , Gupta Arjun , Rubinstein David 
Published: April 2023

AbstractPericardial effusion leading to cardiac tamponade can occur due to a multitude of etiologies, one of which is medication adverse effects. In patients with comorbid conditions, this can prove to be a challenge in its co‐management along with the primary disease. We present a rare case of anagrelide‐induced pericardial effusion that is presented with tamponade physiology in a patient with essential thrombocythemia. After cautiously weighing the risks and benefits of further invasive interventions following an unsuccessful pericardiocentesis, the decision was to stop anagrelide while managing the pericardial effusion medically. Therefore, managing pericardial effusion should be tailored to each patient individually through shared decision‐making.
Inclusion body myositis in an older patient following a fall
Authors: Saiki Haruma , Isono Hiroki , Ihara Kousuke , Kondo Keisuke , Isono Momoko , Shiraoka Akira 
Published: April 2023

Key Clinical MessageAfter experiencing a fall, an 82‐year‐old woman developed progressive loss of lower limb strength and was diagnosed with inclusion body myositis. Although falls and muscle weakness are often regarded as consequences of aging, inclusion body myositis should be considered in a patient with a history of multiple falls.
Hyperostosis frontalis interna presenting as a forehead scar in a young male
Authors: Khizar Ahtesham , Shahzad Waleed , Yadav Pradhumna Kumar 
Published: April 2023

AbstractHyperostosis frontalis interna is a benign overgrowth of the inner table of the frontal bone. Exact etiology is unknown. The condition is often an incidental finding and requires no treatment unless there are neurological signs and symptoms.