bluuebunny/crossref_metadata_2025_split huggingface dataset:
Preliminary study of prehospital use of smart glasses
Authors: Ishikawa Kouhei , Yanagawa Youichi , Ota Soichiro , Muramatsu Ken‐ichi , Nagasawa Hiroki , Jitsuiki Kei , Ohsaka Hiromichi , Nara Tamaki , Nishizaki Yuji , Daida Hiroyuki 
Published: November 2022

BackgroundA smart glasses system is a computerized communicator with a transparent screen and video camera that can be worn as a pair of glasses. There have been no reports on the use of smart glasses in the prehospital setting.PurposeTo conduct a preliminary investigation on whether smart glasses were smoothly used bidirectionally between the prehospital setting and the receiving hospital.MethodsFrom March 1, 2022, to March 31, 2022, one smart glasses unit was installed in an ambulance at one branch of the fire department near our hospital. The physician on the computer, who received video and voice transmission from the smart glasses when the ambulance was dispatched, evaluated the transmission status with regard to video reception, voice reception, and voice transmission. In addition, the activity time was compared between cases in which the smart glasses system was used (patient) and not used (control).ResultsDuring the investigating period, 12 cases were analyzed as patients. The rate of good video reception was 75%, the rate of good voice reception was 50%, and the rate of good voice transmission was 25%. There was no significant change in the activity time between the patient and control groups.ConclusionWe performed a preliminary investigation on the usability of smart glasses in the prehospital setting. Using smart glasses, patient information was shared by video and voice before arrival at the hospital, and did not affect the activity time. However, the instability of the communication status should be recognized.
Universal Classical Optical Computing Inspired by Quantum Information Process
Authors: Sun Yifan , Li Qian , Kong Ling‐Jun , Shang Jiangwei , Zhang Xiangdong 
Published: November 2022

AbstractQuantum computing has attracted much attention in recent decades, since it is believed to solve certain problems substantially faster than traditional computing methods. Theoretically, such an advance can be obtained by networks of the quantum operators in universal gate sets, one famous example of which is formed by quantum Control‐not gate and single qubit gates. However, realizing a device that performs practical quantum computing is tricky. This is because it requires a scalable qubit system with long coherence time and good controls, which is harsh for most current platforms. Here, it is demonstrated that the information process based on a relatively stable system—classical optical system, can be considered as an analogy of universal quantum computing. By encoding the information via the polarization state of classical beams, the optical computing elements that correspond to the universal gate set are presented and their combination for a general information process is theoretically illustrated. Taking the analogy of two‐qubit processor as an example, it is experimentally verified that the proposal works well. Considering the potential of optical system for reliable and low‐energy‐consuming computation, the results open a new way toward advanced information processing with high quality and efficiency.
Amyloid Against Amyloid: Dimeric Amyloid Fragment Ameliorates Cognitive Impairments by Direct Clearance of Oligomers and Plaques
Authors: Lee Hee Yang , Baek Seungyeop , Cha Minhae , Yang Seung‐Hoon , Cho Illhwan , Shin Heewon , Lee Sejin , Kim Hye Yun , Lee Songmin , Shin Jisu , Lee Donghee , Kim Kyeonghwan , Park InWook , Yoon Soljee , Kim Jiyoon , Park Seong Jeong , Kim Seong Muk , Kim Ko Eun , Kim Hye Ju , Oh Min‐Seok , Lee Gwan‐Ho , Yu Byung‐Yong , Kannan Priyadharshini , Park Keunwan , Kim YoungSoo 
Published: November 2022

AbstractAmyloid‐β (Aβ) in the form of neurotoxic aggregates is regarded as the main pathological initiator and key therapeutic target of Alzheimer's disease. However, anti‐Aβ drug development has been impeded by the lack of a target needed for structure‐based drug design and low permeability of the blood–brain barrier (BBB). An attractive therapeutic strategy is the development of amyloid‐based anti‐Aβ peptidomimetics that exploit the self‐assembling nature of Aβ and penetrate the BBB. Herein, we designed a dimeric peptide drug candidate based on the N‐terminal fragment of Aβ, DAB, found to cross the BBB and solubilize Aβ oligomers and fibrils. Administration of DAB reduced amyloid burden in 5XFAD mice, and downregulated neuroinflammation and prevented memory impairment in the Y‐maze test. Peptide mapping assays and molecular docking studies were utilized to elucidate DAB‐Aβ interaction. To further understand the active regions of DAB, we assessed the dissociative activity of DAB with sequence modifications.
A Light‐Triggered Synthetic Nanopore for Controlling Molecular Transport Across Biological Membranes
Authors: Offenbartl‐Stiegert Daniel , Rottensteiner Alexia , Dorey Adam , Howorka Stefan 
Published: November 2022

AbstractControlling biological molecular processes with light is of interest in biological research and biomedicine, as light allows precise and selective activation in a non‐invasive and non‐toxic manner. A molecular process benefitting from light control is the transport of cargo across biological membranes, which is conventionally achieved by membrane‐puncturing barrel‐shaped nanopores. Yet, there is also considerable gain in constructing more complex gated pores. Here, we pioneer a synthetic light‐gated nanostructure which regulates transport across membranes via a controllable lid. The light‐triggered nanopore is self‐assembled from six pore‐forming DNA strands and a lid strand carrying light‐switchable azobenzene molecules. Exposure to light opens the pore to allow small‐molecule transport across membranes. Our light‐triggered pore advances biomimetic chemistry and DNA nanotechnology and may be used in biotechnology, biosensing, targeted drug release, or synthetic cells.
Piezocatalytic Techniques in Environmental Remediation
Authors: Liu Jiahao , Qi Weiliang , Xu Mengmeng , Thomas Tiju , Liu Siqi , Yang Minghui 
Published: November 2022

AbstractAs a consequence of rapid industrialization throughout the world, various environmental pollutants have begun to accumulate in water, air, and soil. This endangers the ecological environment of the earth, and environmental remediation has become an immediate priority. Among various environmental remediation techniques, piezocatalytic techniques, which uniquely take advantage of the piezoelectric effect, have attracted much attention. Piezoelectric effects allow pollutant degradation directly, while also enhancing photocatalysis by reducing the recombination of photogenerated carriers. In this Review, we provide a comprehensive summary of recent developments in piezocatalytic techniques for environmental remediation. The origin of the piezoelectric effect as well as classification of piezoelectric materials and their application in environmental remediation are systematically summarized. We also analyze the potential underlying mechanisms. Finally, urgent problems and the future development of piezocatalytic techniques are discussed.
Maximum Impact of Ionic Strength on Acid‐Catalyzed Reaction Rates Induced by a Zeolite Microporous Environment
Authors: Liu Qiang , Pfriem Niklas , Cheng Guanhua , Baráth Eszter , Liu Yue , Lercher Johannes A. 
Published: November 2022

AbstractThe intracrystalline ionic environment in microporous zeolite can remarkably modify the excess chemical potential of adsorbed reactants and transition states, thereby influencing the catalytic turnover rates. However, a limit of the rate enhancement for aqueous‐phase dehydration of alcohols appears to exist for zeolites with high ionic strength. The origin of such limitation has been hypothesized to be caused by the spatial constraints in the pores via, e.g., size exclusion effects. It is demonstrated here that the increase in turnover rate as well as the formation of a maximum and the rate drop are intrinsic consequences of the increasingly dense ionic environment in zeolite. The molecularly sized confines of zeolite create a unique ionic environment that monotonically favors the formation of alcohol‐hydronium ion complexes in the micropores. The zeolite microporous environment determines the kinetics of catalytic steps and tailors the impact of ionic strength on catalytic rates.
Selective Cross‐Ketonization of Carboxylic Acids Enabled by Metallaphotoredox Catalysis
Authors: Whyte Andrew , Yoon Tehshik P. 
Published: November 2022

AbstractCarboxylic acids are attractive building blocks for synthetic chemistry because they are chemically stable, abundant, and commercially available with substantial structural diversity. The process of combining two carboxylic acids to furnish a ketone is termed ketonization. This is a potentially valuable transformation that has been underutilized in organic synthesis due to the harsh reaction conditions generally required and the lack of selectivity obtained when coupling two distinct carboxylic acids. We report herein a metallaphotoredox strategy that selectively generates unsymmetrical ketones via cross‐ketonization of two structurally dissimilar carboxylic acids. Cross‐selectivity is achieved by exploiting divergent reactivity of differentially substituted acids towards critical one‐ and two‐electron processes in the proposed coupling mechanism. This method is broadly applicable to a variety of functionalized carboxylic acids. It can also be applied to acids of similar steric profile by exploiting differences in their relative rates of decarboxylation.
Modulating the Electronic Structures of Dual‐Atom Catalysts via Coordination Environment Engineering for Boosting CO2Electroreduction
Authors: Gong Yun‐Nan , Cao Chang‐Yu , Shi Wen‐Jie , Zhang Ji‐Hong , Deng Ji‐Hua , Lu Tong‐Bu , Zhong Di‐Chang 
Published: November 2022

AbstractDual‐atom catalysts (DACs) have emerged as efficient electrocatalysts for CO2reduction owing to the synergistic effect between the binary metal sites. However, rationally modulating the electronic structure of DACs to optimize the catalytic performance remains a great challenge. Herein, we report the electronic structure modulation of three Ni2DACs (namely, Ni2−N7, Ni2−N5C2and Ni2−N3C4) by the regulation of the coordination environments around the dual‐atom Ni2centres. As a result, Ni2−N3C4exhibits significantly improved electrocatalytic activity for CO2reduction, not only better than the corresponding single‐atom Ni catalyst (Ni−N2C2), but also higher than Ni2−N7and Ni2−N5C2DACs. Density functional theory (DFT) calculations revealed that the high electrocatalytic activity of Ni2−N3C4for CO2reduction could be attributed to the electronic structure modulation to the Ni centre and the resulted proper binding energies to COOH* and CO* intermediates.
Study on the properties of bauxite modified by acid leaching and calcination for improving fluorine removal
Authors: Liu Xiuwu , Zhong Yang , Zhu Shijie , Zhang Songling , Cao Jilin 
Published: November 2022

AbstractIn order to improve the fluorine removal performance of bauxite, the effects of different calcination temperatures and several acids (HCl, H2SO4, H2C2O4) on the fluorine removal performance of bauxite were investigated. It was found that the calcination temperature of 500°C and the modification of H2SO4 had the best fluorine removal performance. Under the same experimental conditions, the fluoride removal rate of the modified bauxite could reach 99.54%, which was much higher than that of unmodified bauxite (52.69%). The adsorbent was characterized by XRD, FTIR, BET, TG/DSC, and XRF. The influence of the addition amount of adsorbent, initial concentration of fluorine, adsorption time, and temperature on fluorine removal performance was studied. The adsorption process reached equilibrium in 32 min, and the inhibition order of coexisting anions was H2PO4− < HCO3− < CO32− < Cl−. The pseudo‐second‐order kinetic model was more suitable for the fluoride removal process of modified bauxite. Thermal regeneration had better regeneration performance than alkali leaching regeneration.
1,3,4‐Thiadiazole and 1,2,4‐triazole‐5‐thione derivatives bearing 2‐pentyl‐5‐phenyl‐2,4‐dihydro‐3H‐1,2,4‐triazole‐3‐one ring: Synthesis, molecular docking, urease inhibition, and crystal structure
Authors: Gültekin Ergün , Bekircan Olcay , Kara Yakup , Güler Halil İbrahim , Soylu Mustafa Serkan , Kolaylı Sevgi 
Published: November 2022

AbstractTwo series of 1,3,4‐thiadiazole (40a–o) and 1,2,4‐triazole‐5‐thione (41a–l) derivatives bearing a 2‐pentyl‐5‐phenyl‐1,2,4‐triazole‐3‐one ring were synthesized and then studied for their urease inhibitory activities using thiourea as a standard drug. Among the two groups, the first group (40a–o) did not show good activity while the second group (41a–l) showed excellent activity. Compound 41j (1091.24 ± 14.02 µM) of the second series of compounds showed lower activity than thiourea, while the remaining 11 compounds (41a–i, k, and l) showed better activity than thiourea (183.92 ± 13.14 µM). Among the 11 compounds, 41b (15.96 ± 2.28 µM) having the 3‐F group on the phenyl ring showed the highest inhibitory activity. Urease kinetic studies of 41b, which is the most active compound, determined it to have an un‐competitive inhibition potential. Moreover, in silico analysis against urease from jack bean with 27 new heterocyclic compounds and the reference molecule was carried out to see the necessary interactions responsible for urease activity. The docking calculations of all compounds supported stronger binding to the receptor than the reference molecule, with high inhibition constants. In addition, compound 40m was characterized by single‐crystal X‐ray diffraction analysis. X‐ray analysis reveals that the structures of the compound 40m crystallize in the monoclinic P21/c space group with the cell parameters: a = 10.2155(9) Å, b = 22.1709(18) Å, c = 21.4858(17) Å, β = 99.677(8)°, V = 4797.0(7) Å3. X‐ray diffraction analyses were also performed to gain insights into the role of weak intermolecular interactions and C‐H…X (halogen) interactions in compound 40m that influence the crystal packing.
BC‐11 is a covalent TMPRSS2 fragment inhibitor that impedes SARS‐CoV‐2 host cell entry
Authors: Moumbock Aurélien F. A. , Tran Hoai T. T. , Lamy Evelyn , Günther Stefan 
Published: November 2022

AbstractHost cell entry of severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) is facilitated via priming of its spike glycoprotein by the human transmembrane protease serine 2 (TMPRSS2). Although camostat and nafamostat are two highly potent covalent TMPRSS2 inhibitors, they nevertheless did not hold promise in COVID‐19 clinical trials, presumably due to their short plasma half‐lives. Herein, we report an integrative chemogenomics approach based on computational modeling and in vitro enzymatic assays, for repurposing serine‐targeted covalent inhibitors. This led to the identification of BC‐11 as a covalent TMPRSS2 inhibitor displaying a unique selectivity profile for serine proteases, ascribable to its boronic acid warhead. BC‐11 showed modest inhibition of SARS‐CoV‐2 (omicron variant) spike pseudotyped particles in a cell‐based entry assay, and a combination of BC‐11 and AHN 1‐055 (a spike glycoprotein inhibitor) demonstrated better viral entry inhibition than either compound alone. Given its low molecular weight and good activity against TMPRSS2, BC‐11 qualifies as a good starting point for further structural optimizations.
Benzenesulfonamides with trisubstituted triazole motif as selective carbonic anhydrase I, II, IV, and IX inhibitors
Authors: Sharma Vikas , Kumar Rajiv , Angeli Andrea , Supuran Claudiu T. , Sharma Pawan K. 
Published: November 2022

AbstractTwenty novel 1,2,3‐triazole benzenesulfonamides featuring nitrile 8a–g, carbothioamide 9a–f, and N′‐hydroxycarboximidamide 10a–g functionalities were designed and synthesized to improve potency and selectivity as carbonic anhydrase inhibitors (CAIs). The synthesized 1,2,3‐triazole compounds were tested in vitro as CAIs against four physiologically and pharmacologically relevant isoforms of human carbonic anhydrase (hCA I, II, IV, and IX). Compounds 8a–g, 9a–f, and 10a–g displayed variable inhibition constants ranging from 8.1 nM to 3.22 μM for hCA I, 4.7 nM to 0.50 μM for hCA II, 15.0 nM to 3.7 μM for hCA IV, and 29.6 nM to 0.27 μM for hCA IX. As per the inhibition data profile, compounds 9a–e exhibited strong efficacy for hCA IV, whereas the inhibition was found to be somewhat diminished in the case of hCA IX by nearly all the compounds. A computational protocol based on docking and MM‐GBSA was conducted to reveal the plausible interactions of the targeted sulfonamides within the hCA II and IX binding sites. The outcomes of appending various functionalities at the C‐4 position of the 1,2,3‐triazole motif over the inhibition potential and selectivity of the designed sulfonamides were examined with a potential for the discovery of new isoform selective CAIs. The CAI and SAR data established the significance of the synthesized 1,2,3‐triazoles as building blocks for developing CAI drugs.
The Cluster Design and Redox Behavior Characterization of Polyoxometalates for Redox Flow Batteries
Authors: Han Yanhong , Lan Jinji , Li Ke , Yang Le , Zhu Chengxiang , Chen Jiajia 
Published: November 2022

AbstractPolyoxometalates (POMs) are a class of metal‐oxygen cluster molecular materials formed by covalently linking transition metal atoms and oxygen atoms. Those molecular cluster materials also shows multiple electron reversible redox capabilities and high solubility in solution. Thus, POMs also recently present interesting applications as redox active electrolyte in redox flow batteries (RFBs). In this review, we mainly focus on the structural design of POMs and analysis factors affecting the electrochemical properties of POMs. Spectroscopic characterizations are introduced to deeply explore the structural changes of POMs during the redox process. Furthermore, we summarize the cases of POMs used as liquid‐phase redox couple in aqueous or non‐aqueous redox flow batteries and discuss the advantages and deficiency of POMs with various configurations.
Lithium‐Sulfur Batteries: Current Achievements and Further Development
Authors: Kaskel Stefan , Huang Jia‐Qi , Sakaebe Hikari 
Published: November 2022

AbstractIn this Editorial, Guest Editors Stefan Kaskel, Jia‐Qi Huang, and Hikari Sakaebe introduce the Special Collection of Batteries & Supercaps on Lithium–Sulfur batteries. They discuss the challenges that lithium‐ion batteries currently face and how they can be solved using lithium‐sulfur batteries using various interesting approaches from scientists around the world.
Preparation and assessment of an optimized multichannel acellular nerve allograft for peripheral nerve regeneration
Authors: Yu Tianhao , Ao Qiang , Ao Tianrang , Ahmad Muhammad Arslan , Wang Aijun , Xu Yingxi , Zhang Zhongti , Zhou Qing 
Published: November 2022

AbstractPeripheral nerve regeneration after injury is still a clinical problem. The application of autologous nerve grafting, the gold standard treatment, is greatly restricted. Acellular nerve allografts (ANAs) are considered promising alternatives, but they are difficult to achieve satisfactory therapeutic outcomes, which may be attributed to their compact inherent ultrastructure and substantial loss of extracellular matrix (ECM) components. Regarding these deficiencies, this study developed an optimized multichannel ANA by a modified decellularization method. These innovative ANAs were demonstrated to retain more ECM bioactive molecules and regenerative factors, with effective elimination of cellular antigens. The presence of microchannels with larger pore size allowed ANAs to gain higher porosity and better swelling performance, which improves their internal ultrastructure. Their mechanical properties were more similar to those of native nerves. Moreover, the optimized ANAs exhibited good biocompatibility and possessed significant advantages in supporting the proliferation and migration of Schwann cells in vitro. The in vivo results further confirmed their superior capacity to promote axon regrowth and myelination as well as restore innervation of target muscles, leading to better functional recovery than the conventional ANAs. Overall, this study demonstrates that the optimized multichannel ANAs have great potential for clinical application and offer new insight into the further improvement of ANAs.
A Pair of Chromone Epimers and an Acetophenone Glucoside from the Mangrove Endophytic Fungus Mycosphaerella sp. L3A1
Authors: Tan Qi , Yang Wencong , Zhu Ge , Chen Tao , Wu Jun , Zhu Yujia , Wang Bo , Yuan Jie , She Zhigang 
Published: November 2022

AbstractThree new compounds, including a pair of chromone derivatives (1–2), and an acetophenone glucoside (3), together with three known compounds (4–6), were isolated from the mangrove endophytic fungus Mycosphaerella sp. L3A1. Their structures were elucidated by HR‐ESI‐MS analysis and extensive spectroscopic data. The absolute configurations of new compounds were determined using single‐crystal X‐ray diffraction analysis, electronic circular dichroism (ECD) calculations and chemical hydrolysis. In bioassays, compound 4 showed moderate cytotoxic activity against MDA‐MB‐435, HCT116, and SNB19 with IC50 values in the range of 18.5‐26.29 μM.
Egr3 as an important regulator of uterine decidualization through targeting Hand2
Authors: Yue Liang , Yu Hai‐Fan , Tian Xue‐Chao , Guo Bin , Zheng Lian‐Wen 
Published: November 2022

AbstractEarly growth response 3 (Egr3) is required for embryogenesis, but little understanding is usable about its function in embryo implantation and decidualization. The present study exhibited an obvious localization of Egr3 in luminal epithelium and subluminal stroma at implantation sites. Administration of estrogen brought about a distinct gather of Egr3 mRNA in uterine luminal and glandular epithelia. Meanwhile, Egr3 was visualized in the decidua where it might facilitate the proliferation of stromal cells via Ccnd3 and accelerate stromal differentiation, testifying the significance of Egr3 in decidualization. In ovariectomized mice uteri or stromal cells, progesterone advanced the expression of Egr3 whose obstruction counteracted the inducement of stromal differentiation by progesterone. Consistently, Egr3 mediated the influence of cAMP and heparin‐binding EGF‐like growth factor (HB‐EGF) on the differentiation program. Additionally, cAMP‐protein kinase A (PKA) signaling mediated the adjustment of progesterone on Egr3. Impediment of HB‐EGF antagonized the ascendance of Egr3 conferred by cAMP. In stromal cells, Egr3 activated the transcription of Hand2 whose promoter region exhibited the binding enrichment of Egr3. Activation of Hand2 relieved the weakness of stromal differentiation by Egr3 hinderance, whereas knockdown of Hand2 neutralized the guidance of Egr3 overexpression on the differentiation program. Collectively, Egr3 was identified as an important regulator of uterine decidualization through targeting Hand2 in response to progesterone/cAMP/HB‐EGF pathway.