bluuebunny/crossref_metadata_2025 huggingface dataset:
Multi‐Objective Optimization During Magnetic Field Assisted ECDM of Alumina‐Zirconium Dioxide Ceramic Composite using Battle Royale Optimization
Authors: Soni Dheeraj , Gidwani Bhagwan Das , Shringi Rohitashwa
Published: May 2023

Alumina‐Zirconium dioxide (Al2O3‐ZrO2) Ceramic Composite Material (CCM) is specifically known for its enhanced mechanical and corrosion resistance properties and is widely used as raw material for mechanical parts like, pump components, die inserts, bearings, etc. As a result, industrialists are searching for an efficient method for machining this Al2O3‐ZrO2 material. In this regard, a hybrid unconventional machining process called Electrochemical Discharge Machining (ECDM) is adapted to analyze the machinability of Al2O3‐ZrO2 CCM. Besides, to ensure the efficiency of the ECDM process, a magnetic field is also given to the tool electrode during this study to improve the Material Removal Rate (MRR) of the ECDM machine. The experiment is designed using Response Surface Methodology (RSM) by changing the magnitudes of input controls, namely Electrolytic Concentration (EC), Inter‐electrode Gap (IEG) and Applied Voltage (AV). Moreover, a novel hybrid machine learning optimization strategy called Deep Belief Network based Battle Royal Optimization (DBN‐BRO) algorithm is developed to predict and optimize the ECDM process. Finally, the optimum results are perceived from 55 V AV, 22.727% EC and 40.909 mm IEG input levels. The proposed method shows less than 0.6207 Root Mean Square Error (RMSE) and tools nearly 80 iterations for optimizing the results.
Calculation Concept for Wood‐Based Components in Mechanical Engineering
Authors: Kluge Patrick , Eichhorn Sven
Published: May 2023

Herein, an approach is described for a calculation concept to close the gap between lightweight construction and necessary safety for structural components made of wood materials with use in mechanical engineering. The calculation of wood‐based materials represents a challenge due to the orthotropic material behavior and the many influencing parameters on the mechanical properties. The main objective of the considerations is to predict the mechanical component behavior as precisely as possible. In the next step, the designer can use the results of the calculations to make statements about the component safety. The analyses of this article are part of the joint project “Wood‐based materials in mechanical engineering (HoMaba)”.
Efficient and Stable Inverted Wide‐Bandgap Perovskite Solar Cells and Modules Enabled by Hybrid Evaporation‐Solution Method
Authors: Afshord Amir Zarean , Uzuner Bahri Eren , Soltanpoor Wiria , Sedani Salar H. , Aernouts Tom , Gunbas Gorkem , Kuang Yinghuan , Yerci Selcuk
Published: May 2023

Wide‐bandgap perovskite solar cells (WBG‐PSCs), when partnered with Si bottom cells in tandem configuration, can provide efficiencies up to 44%; yet, the development of stable, efficient, and scalable WBG‐PSCs is required. Here, the utility of the hybrid evaporation‐solution method (HESM) is investigated to meet these demanding requirements via its unique advantages including ease of control and reproducibility. A PbI2/CsBr layer is co‐evaporated followed by coating of organic‐halide solutions in a green solvent. Bandgaps between 1.55–1.67 eV are systematically screened by varying CsBr and MABr content. Champion efficiencies of 21.06% and 20.35% in cells and 19.83% and 18.73% in mini‐modules (16 cm2) for perovskites with 1.64 and 1.67 eV bandgaps are achieved, respectively. Additionally, 18.51%‐efficient semi‐transparent WBG‐PSCs are implemented in 4T perovskite/bifacial silicon configuration, reaching a projected power output of 30.61 mW cm−2 based on PD IEC TS 60904‐1‐2 (BiFi200) protocol. Despite similar bandgaps achieved by incorporating Br via MABr solution and/or CsBr evaporation, PSCs having a perovskite layer without MABr addition show significantly higher thermal and moisture stability. This study proves scalable, high‐performance, and stable WBG‐PSCs are enabled by HESM, hence their use in tandems and in emerging applications such as indoor photovoltaics are now within reach.
Coordinating Solvent Synthesis of InP Quantum Dots with Large Sizes and Suppressed Defects for Yellow Light‐Emitting Diodes
Authors: Dou Yongjiang , Wang Lin , Wang Yimin , Wu Qianqian , Cao Fan , Wang Sheng , Huang Quanzhen , Ma Yanyan , Yang Xuyong
Published: May 2023

Noncoordinating solvents are intensively investigated and used in quantum dot (QD) synthesis since they generally are not involved in the chemical reaction. Here, high‐quality heavy‐metal‐free indium phosphide (InP) QDs are prepared by adopting a coordinating solvent synthesis method in which the trioctylamine (TOA) used is a one of a kind L‐type ligand that can coordinate with the In precursor and compete with the P precursor simultaneously, which decreases the nucleation sites and increases their growth rates, resulting in relatively larger‐sized InP QDs compared to those obtained by the conventional noncoordinating solvent of 1‐octadecene (ODE). By further coating the shell of ZnSe/ZnS, the core/shell structured InP QDs demonstrate a yellow emission with the highest photoluminescence quantum yields (PLQY) of up to 82%. The zinc chloride treatment via in situ ligand exchange further passivates the sulfide vacancies, which not only avoids the luminescence quenching of QDs but also facilitates the hole injection from the hole transport layer (HTL) to QDs. As a result, the resulting yellow InP QDs‐based light emitting diode (QLED) achieves a maximum external quantum efficiency (EQE) of 7.76% and an operational lifetime of 290 h at an initial luminance of 100 cd m−2.
Plasmon Enhanced Quantum Properties of Single Photon Emitters with Hybrid Hexagonal Boron Nitride Silver Nanocube Systems
Authors: Dowran Mohammadjavad , Butler Andrew , Lamichhane Suvechhya , Erickson Adam , Kilic Ufuk , Liou Sy‐Hwang , Argyropoulos Christos , Laraoui Abdelghani
Published: May 2023

Hexagonal boron nitride (hBN) has emerged as a promising ultrathin host of single photon emitters (SPEs) with favorable quantum properties at room temperature, making it a highly desirable element for integrated quantum photonic networks. One major challenge of using these SPEs in such applications is their low quantum efficiency. Recent studies have reported an improvement in quantum efficiency by up to two orders of magnitude when integrating an ensemble of emitters such as boron vacancy defects in multilayered hBN flakes embedded within metallic nanocavities. However, these experiments have not been extended to SPEs and are mainly focused on multiphoton effects. Here, the quantum single‐photon properties of hybrid nanophotonic structures composed of SPEs created in ultrathin hBN flakes coupled with plasmonic silver nanocubes (SNCs) are studied. The authors demonstrate 200% plasmonic enhancement of the SPE properties, manifested by a strong increase in the SPE fluorescence. Such enhancement is explained by rigorous numerical simulations where the hBN flake is in direct contact with the SNCs that cause the plasmonic effects. The presented strong and fast single photon emission obtained at room temperature with a compact hybrid nanophotonic platform can be very useful to various emerging applications in quantum optical communications and computing.
Platinum Catalysed Hydrostannylation of Terminal Alkynes; Highly Selective Synthesis of Vinyl Stannanes
Authors: Roberts Dean D. , McLaughlin Mark G.
Published: May 2023

We present the first study on the application of platinum complexes in the hydrostannylation of terminal alkynes. A range of platinum complexes were screened, with PtCl2/XPhos proving to provide the best selectivity for the β‐(E)‐vinyl stannane. The catalyst system is able to provide the corresponding vinyl stannane in selectivities which surpasses that which is typically afforded under palladium catalysis. Additionally, a telescoped hydrometallation/cross‐coupling sequence has been developed, allowing for application of the vinyl stannanes without excessive manipulation or purification of the intermediate stannane.

magnified image
The impact of COVID‐19 for postoperative outcomes using a nationwide Japanese database of patients undergoing distal gastrectomy for gastric cancer
Authors: Takeuchi Masashi , Endo Hideki , Hibi Taizo , Seishima Ryo , Nakano Yutaka , Yamamoto Hiroyuki , Miyata Hiroaki , Maeda Hiromichi , Hanazaki Kazuhiro , Taketomi Akinobu , Kakeji Yoshihiro , Seto Yasuyuki , Ueno Hideki , Mori Masaki , Kitagawa Yuko
Published: May 2023

Background

The coronavirus disease 2019 (COVID‐19) pandemic had resulted in either failure to provide required medical resources or delayed treatment for gastric cancer patients. This study aimed to investigate the impact of COVID‐19 on the incidence of postoperative complications using a nationwide Japanese database of patients undergoing distal gastrectomy for gastric cancer.

Methods

We collected the data of patients who underwent distal gastrectomy from January 2018 to December 2021 from the National Clinical Database (NCD), a web‐based surgical registration system in Japan. The number of surgical cases, the use of intensive care units, and the incidence of morbidity per month were analyzed. We also calculated the standardized mortality ratio (SMR), defined as the ratio of the number of observed patients to the expected number of patients calculated using the risk calculator established in the NCD, for several morbidities, including pneumonia, sepsis, 30‐day mortality, and surgical mortality.

Results

A decrease of 568 gastrectomies was observed from April 2020 to May 2020. Although the absolute number of patients admitted to intensive care units had declined since 2020, the proportion of patients admitted to the ICU did not change before and after the pandemic. Mortality and critical morbidity (such as pneumonia and sepsis) rates were not worse during the pandemic compared to pre‐pandemic periods per the SMR.

Conclusions

Surgical management was conducted adequately through the organized efforts of the entire surgery department in our country even in a pandemic during which medical resources and staff may have been limited.
Unveiling Atom Migration Abilities Affected Anode Performance of Sodium‐Ion Batteries
Authors: Zheng Qizheng , Zhou Shiyuan , Tang Shi , Zeng Hongbin , Tang Yonglin , Li Zhengang , Liu Sangui , Xiao Liangping , Huang Ling , Qiao Yu , Sun Shi‐Gang , Liao Hong‐Gang
Published: May 2023

In sodium‐ion batteries (SIBs), the low initial coulombic efficiency (ICE) is commonly induced by irreversible phase conversion and difficult desodiation, especially on transition metal compounds (TMCs). Yet the underlying physicochemical mechanism of poor reaction reversibility is still a controversial issue. Herein, by using in situ transmission electron microscopy and in situ X‐ray diffraction, we demonstrate the irreversible conversion of NiCoP@C is caused by the rapid migration of P in carbon layer and preferential formation of isolated Na3P during discharge. By modifying the carbon coating layer, the migration of Ni/Co/P atoms is inhibited, thus the improvement of ICE and cycle stability is realized. The inhibiting of fast atom migration which induces component separation and rapid performance degradation might be applied to a wide range of electrode materials, and guides the development of advanced SIBs.
Interconversion of Highly Entangled Polyhedra into Concave Polyhedra by Nitrate‐Induced Ternary Coordination
Authors: Domoto Yuya , Abe Masahiro , Genov Georgi R. , Yu Zhengsu , Fujita Makoto
Published: May 2023

Entangled (M3L2)n polyhedral complexes represent a unique class of supramolecular architectures that are stabilized by relatively weak metal–acetylene interactions in cooperation with conventional metal–pyridyl coordination. Counter‐anion exchange of these complexes with a nitrate (NO3−) ion triggered formal metal insertion between the metal centers, and a heteroleptic ternary coordination mode with acetylenic, pyridyl, and nitrate donors was generated on the metal centers. As a result, the main frameworks of the polyhedral complexes M18L12 and M12L8 were formally extended into a new series of concave polyhedra having the compositions M21L12 and M13L8, respectively. This transformation also resulted in the local disconnection of the highly entangled trifurcate topology of the framework, providing clues toward the skeletal editing of extended and complex three‐dimensional (3D) architectures.
Enhancing Carrier Transport via σ‐Linkage Length Modulation in D‐σ‐A Semiconductors for Photocatalytic Oxidation
Authors: Liu Weixu , He Chang , Huang Sijie , Zhang Kunfeng , Zhu Wei , Liu Liping , Zhang Zijian , Zhu Enwei , Chen Yu , Chen Chen , Zhu Yongfa
Published: May 2023

Carrier transport is an equally decisive factor as carrier separation for elevating photocatalytic efficiency. However, limited by indefinite structures and low crystallinities, studies on enhancing carrier transport of organic photocatalysts are still in their infancy. Here, we develop an σ‐linkage length modulation strategy to enhance carrier transport in imidazole‐alkyl‐perylene diimide (IMZ‐alkyl‐PDI, corresponding to D‐σ‐A) photocatalysts by controlling π–π stacking distance. Ethyl‐linkage can shorten π–π stacking distance (3.19 Å) the most among IMZ‐alkyl‐PDIs (where alkyl=none, ethyl, and n‐propyl) via minimizing steric hindrance between D and A moieties, which leads to the fastest carrier transport rates. Thereby, IMZ‐ethyl‐PDI exhibits remarkable enhancement in phenol degradation with 32‐fold higher rates than IMZ‐PDI, as well as the oxygen evolution rate (271‐fold increased). In microchannel reactors, IMZ‐ethyl‐PDI also presents 81.5 % phenol removal with high‐flux surface hydraulic loading (44.73 L m−2 h−1). Our findings provide a promising molecular design guideline for high‐performance photocatalysts and elucidate crucial internal carrier transport mechanisms.
Direct Insertion Polymerization of Ionic Monomers: Rapid Production of Anion Exchange Membranes
Authors: Hsu Jesse H. , Peltier Cheyenne R. , Treichel Megan , Gaitor Jamie C. , Li Qihao , Girbau Renee , Macbeth Alexandra J. , Abruña Héctor D. , Noonan Kevin J. T. , Coates Geoffrey W. , Fors Brett P.
Published: May 2023

The limited number of methods to directly polymerize ionic monomers currently hinders rapid diversification and production of ionic polymeric materials, namely anion exchange membranes (AEMs) which are essential components in emerging alkaline fuel cell and electrolyzer technologies. Herein, we report a direct coordination‐insertion polymerization of cationic monomers, providing the first direct synthesis of aliphatic polymers with high ion incorporations and allowing facile access to a broad range of materials. We demonstrate the utility of this method by rapidly generating a library of solution processable ionic polymers for use as AEMs. We investigate these materials to study the influence of cation identity on hydroxide conductivity and stability. We found that AEMs with piperidinium cations exhibited the highest performance, with high alkaline stability, hydroxide conductivity of 87 mS cm−1 at 80 °C, and a peak power density of 730 mW cm−2 when integrated into a fuel cell device.
Nano‐enabled Quenching of Bacterial Communications for the Prevention of Biofilm Formation
Authors: Gao Meng , Xu Bolong , Huang Yang , Cao Jiayu , Yang Lili , Liu Xi , Djumaev Alisher , Wu Di , Shoxiddinova Moxichexra , Cai Xiaoming , Tojiyev Behruz , Zheng Huizhen , Li Xuehua , Normurodova Kunduz , Liu Huiyu , Li Ruibin
Published: May 2023

Biofilm formation is a major threat to industry, the environment and human health. While killing of embedded microbes in biofilms may inevitably lead to the evolution of antimicrobial resistance (AMR), catalytic quenching of bacterial communications by lactonase is a promising antifouling approach. Given the shortcomings of protein enzymes, it is attractive to engineer synthetic materials to mimic the activity of lactonase. Herein, an efficient lactonase‐like Zn−Nx−C nanomaterial was synthesized by tuning the coordination environment around zinc atoms to mimic the active domain of lactonase for catalytical interception of bacterial communications in biofilm formation. The Zn−Nx−C material could selectively catalyze 77.5 % hydrolysis of N‐acylated‐L‐homoserine lactone (AHL), a critical bacterial quorum sensing (QS) signal in biofilm construction. Consequently, AHL degradation downregulated the expression of QS‐related genes in antibiotic resistant bacteria and significantly prevented biofilm formation. As a proof of concept, Zn−Nx−C‐coated iron plates prevented 80.3 % biofouling after a month exposure in river. Overall, our study provides a nano‐enabled contactless antifouling insight to avoid AMR evolution by engineering nanomaterials for mimicking the key bacterial enzymes (e.g., lactonase) functioning in biofilm construction.
Hyperpolarized 13C NMR Spectroscopy of Urine Samples at Natural Abundance by Quantitative Dissolution Dynamic Nuclear Polarization
Authors: Ribay Victor , Dey Arnab , Charrier Benoît , Praud Clément , Mandral Joris , Dumez Jean‐Nicolas , Letertre Marine P. M. , Giraudeau Patrick
Published: May 2023

Hyperpolarized nuclear magnetic resonance (NMR) offers an ensemble of methods that remarkably address the sensitivity issues of conventional NMR. Dissolution Dynamic Nuclear Polarization (d‐DNP) provides a unique and general way to detect 13C NMR signals with a sensitivity enhanced by several orders of magnitude. The expanding application scope of d‐DNP now encompasses the analysis of complex mixtures at natural 13C abundance. However, the application of d‐DNP in this area has been limited to metabolite extracts. Here, we report the first d‐DNP‐enhanced 13C NMR analysis of a biofluid ‐urine‐ at natural abundance, offering unprecedented resolution and sensitivity for this challenging type of sample. We also show that accurate quantitative information on multiple targeted metabolites can be retrieved through a standard addition procedure.
Maldistribution of Chemical Bond Strength Inducing Exceptional Anisotropy of Thermal Conductivity in Non‐Layered Materials
Authors: Hua Yang , Bai Wei , Dai Shengnan , He Rongjie , Nan Pengfei , Sun Liang , Yang Jiong , Sun Bo , Ge Binghui , Xiao Chong , Xie Yi
Published: May 2023

Currently, the efforts to find materials with high κ anisotropy ratios mainly focus on layered materials, however, the limited quantity and lower workability comparing to non‐layered ones boost the exploration of non‐layered materials with high κ anisotropy ratios. Here, taking PbSnS3, a typical non‐layered orthorhombic compound, as an example, we propose that maldistribution of chemical bond strength can lead to large anisotropy of κ in non‐layered materials. Our result reveals that the maldistribution of Pb−S bonds lead to obvious collective vibrations of dioctahedron chain units, resulting in an anisotropy ratio up to 7.1 at 200 K and 5.5 at 300 K, respectively, which is one of the highest ever reported in non‐layered materials and even surpasses many classical layered materials such as Bi2Te3 and SnSe. Our findings can not only broaden the horizon for exploring high anisotropic κ materials but also provide new opportunities for the application of thermal management.
Enantioselective Hydroalkenylation and Hydroalkynylation of Alkenes Enabled by a Transient Directing Group: Catalyst Generality through Rigidification**
Authors: Simlandy Amit Kumar , Alturaifi Turki M. , Nguyen Johny M. , Oxtoby Lucas J. , Wong Quynh Nguyen , Chen Jason S. , Liu Peng , Engle Keary M.
Published: May 2023

The catalytic enantioselective synthesis of α‐chiral alkenes and alkynes represents a powerful strategy for rapid generation of molecular complexity. Herein, we report a transient directing group (TDG) strategy to facilitate site‐selective palladium‐catalyzed reductive Heck‐type hydroalkenylation and hydroalkynylation of alkenylaldehyes using alkenyl and alkynyl bromides, respectively, allowing for construction of a stereocenter at the δ‐position with respect to the aldehyde. Computational studies reveal the dual beneficial roles of rigid TDGs, such as L‐tert‐leucine, in promoting TDG binding and inducing high levels of enantioselectivity in alkene insertion with a variety of migrating groups.
The exponential model versus a modified Chamis model and applications to sustainable particulate composites
Authors: Anastasiou Dimitrios E.
Published: May 2023

The Exponential model is introduced to predict the modulus of particulate or short‐fiber reinforced composites. The model allows the prediction of Young's modulus, bending modulus, shear modulus, and bulk modulus in a series of composites from a single experimental point. Subsequently, a modification of the widely used Chamis model is introduced, also allowing the prediction of particulate composite moduli from a single experimental point. The predictions of each model are compared with original experimental data derived from tension tests on sustainable and bio‐based composites, covering common cases of thermosets and thermoplastics, as well as different chemical treatments and sizes of the reinforcing materials, and are plotted against the predictions of the rule of mixtures, the inverse rule of mixtures and the Chamis model. Two different matrices (PLA and Ecopoxy) and six different reinforcements (chemically treated and untreated Luffa cylindrica short fibers, acetylated and untreated cotton flocks, and olive pits of 1–5 μm or 50–150 μm diameter) are used. The comparisons show that both the proposed models are capable of achieving much higher prediction accuracy (2.28–59.51 times less root mean square error) than the three models already in use, and easily adapting to the matrix and/or reinforcement changes.
All organic polyimide‐based composite films with high intrinsic polarization for superior energy density and low dielectric loss
Authors: Wang Yu , Yang Wenlong , Lin Jiaqi , Liu Xinmei , Zuo Yuhang , Sun Hongguo , Yang Ying , He Xunjun
Published: May 2023

A simple and low‐cost approach was proposed to fabricate poly(vinylidene fluoride) (PVDF) and polyimide‐poly(amidic acid) (PI‐PAA) all‐organic hybrid films with excellent dielectric performance by solution casting and thermal imidization process. The results showed that the introduction of PVDF and PAA molecular chains into PI matrix significantly enhanced the dielectric permittivity and energy density of PI‐based composites. The permittivity and energy density of 15 wt% PI‐PAA/PVDF composites were 4.83 at 103 Hz and 5.55 J cm−3, which were 52% and 107% higher than that of PI (3.18 at 103 Hz, 2.68 J cm−3). In addition, the dielectric loss of 15 wt% PI‐PAA/PVDF composites was still maintained at a low level (0.009 at 103 Hz). The molecular dynamics results showed that the polarization strength of composites mainly originated from the intrinsic polarization strength. The intrinsic polarization strength of PI‐PAA/PVDF in the composites was 1010 times higher than interfacial polarization strength, and interfacial polarization was negligible. There was no significant difference between the self‐diffusion coefficients of 15 wt% PI‐PAA/PVDF and PI‐PAA, indicating that the relaxation polarization of polymer molecular chains was suppressed. This work provides an effective way for the preparation of dielectric for all organic high voltage direct current system.
Facile fabrication of highly interconnected poly(lactic acid)‐based scaffolds with good hydrophilicity using supercritical carbon dioxide
Authors: Chen Jinwei , Yang Ling , Chen Dahua , Wang Meigui , Wu Lixuan
Published: May 2023

Highly interconnected poly(lactic acid) (PLA)‐based foams are extensively utilized to be candidate porous scaffolds in the field of tissue engineering. Nonetheless, it remains challenging about the preparation of highly porous, interconnected and hydrophilic PLA‐based scaffolds through a facile and cheap method. The present work synthesized PLA‐based scaffolds with high porosity through supercritical carbon dioxide (sc‐CO2) foaming strategy. For improving PLA foam interconnection as well as hydrophilicity, poly(butylene succinate) (PBS), and poly(ethylene glycol) (PEG) were chosen to be excellent additives for PLA blending. PEG acted as a compatibilizer between PLA and PBS, which enhanced open cell structure generation by decreasing melt viscosity. According to investigation of PBS and PEG content as well as foaming temperature, PLA/PBS/PEG(90/10/10) blend foaming under 100°C had the greatest open cell rate of 95.9% and high volume expansion ratio of 13.98, meanwhile, its water contact angle reduced to 62.5°. In addition, the fibroblast NIH/3T3 cells with live/dead cell fluorescence staining assay was utilized to examine the biocompatibility of PLA‐based scaffolds. Results indicated that the PLA/PBS/PEG scaffolds had better biocompatibility than PLA/PBS scaffolds. This work provides an easy and green approach for fabricating fully biodegradable PLA‐based scaffolds with high open cell rate and hydrophilicity in tissue engineering.
Tetrahydroquinazoline N‐oxide derivatives inhibit reproduction of tick‐borne and mosquito‐borne flaviviruses
Authors: Sedenkova Kseniya N. , Uvarova Victoria I. , Nazarova Anna A. , Peisikova Aleksandra V. , Khvatov Evgeny V. , Sukhorukov Maksim V. , Frolenko Vasilisa S. , Goryashchenko Alexander S. , Kholodilov Ivan S. , Grishin Yuri K. , Rybakov Viktor B. , Makenov Marat T. , Morozkin Evgeny S. , Karan Lyudmila S. , Kozlovskaya Liubov I. , Ishmukhametov Aydar A. , Osolodkin Dmitry I. , Averina Elena B.
Published: May 2023

Tick‐borne encephalitis virus (TBEV), yellow fever virus (YFV), and West Nile virus (WNV) are flaviviruses causing emerging arthropod‐borne infections of a great public health concern. Clinically approved drugs are not available to complement or replace the existing vaccines, which do not provide sufficient coverage. Thus, the discovery and characterization of new antiflaviviral chemotypes would advance studies in this field. In this study, a series of tetrahydroquinazoline N‐oxides was synthesized, and the antiviral activity of the compounds was assessed against TBEV, YFV, and WNV using the plaque reduction assay along with the cytotoxicity to the corresponding cell lines (porcine embryo kidney and Vero). Most of the studied compounds were active against TBEV (EC50 2 to 33 μM) and WNV (EC50 0.15 to 34 μM) and a few also demonstrated inhibitory activity against YFV (EC50 0.18 to 41 μM). To investigate the potential mechanism of action of the synthesized compounds, time‐of‐addition (TOA) experiments and virus yield reduction assays were performed for TBEV. The TOA studies suggested that the antiviral activity of the compounds should affect the early stages of the viral replication cycle after cell entry. Compounds with tetrahydroquinazoline N‐oxide scaffold show a broad spectrum of activity against flaviviruses and represent a promising chemotype for antiviral drug discovery.
Semi‐tensor product‐based algebra‐logic mixed representation and fault diagnosis for a class of gate networks
Authors: Liu Fengqiu , Shen Xun , Moschoyiannis Sotiris , Wu Yuhu
Published: May 2023

This article studies an algebra‐logic mixed representation of gate networks and its application to stuck‐at fault diagnosis. First, the gate network is characterized through a logic expression of disjoint sum‐of‐products, and the system structure of the gate network is described based on 2‐to‐1 multiplexers. Then, by resorting to the semi‐tensor product of matrices, a novel algebra‐logic mixed representation is proposed for the gate network through its logic expression and system structure. Furthermore, a novel stuck‐at fault diagnosis algorithm for the gate network is presented, where the stuck‐at fault testability of the gate network is equivalent to the solution existence of the system of linear equations. Finally, the fault diagnosis of the 4‐bit carry look‐ahead adder is carried out to demonstrate the effectiveness and feasibility of the proposed theoretical approach and algorithms.
Stereoselective Synthesis and Characterization of Indenone Azine‐Based Electron‐Accepting π‐Conjugated Systems
Authors: Takagi Shu I. , Hayakawa Masahiro , Fukazawa Aiko
Published: May 2023

Invited for the cover of this issue is the group of Aiko Fukazawa at Kyoto University. The image depicts a N−N component replacing the one originally located between the exocyclic C=C bond of a cross‐conjugated dibenzofulvalene. Read the full text of the article at 10.1002/chem.202300181.
Clinical Pharmacogenomic MT‐RNR1 Screening for Aminoglycoside‐Induced Ototoxicity and the Post‐Test Counseling Conundrum
Authors: Rigobello Robert , Shaw Jay , Ilg Daniel , Zimmerman Rebekah , Edelmann Lisa , Kornreich Ruth , Scott Stuart A. , Cody Neal
Published: May 2023

Aminoglycoside antibiotic exposure can result in ototoxicity and irreversible hearing loss among individuals that harbor the m.1555A>G variant in the mitochondrial 12S rRNA gene, MT‐RNR1. Importantly, pre‐emptive m.1555A>G screening has been shown to reduce the prevalence of pediatric aminoglycoside‐induced ototoxicity; however, professional guidelines to support and guide post‐test pharmacogenomic counseling in this context are not currently available. This Perspective highlights key issues with delivering MT‐RNR1 results, including longitudinal familial care considerations and communicating m.1555A>G heteroplasmy.
Acid‐Promoted Cyclization Reaction of the Guanine Base with 1,1,3,3‐Tetramethoxypropane: A Method for the Preparation of M1dG and its Derivatives
Authors: Sun Wen‐Wu , Xie Yi‐Bing , Deng Ting‐Ting , Huang Jie , Liu Ji‐Kai , Wu Bin
Published: May 2023

Despite the importance of nucleosides and nucleotides for drug discovery, only a few practical methods to prepare tricyclic nucleosides have been reported. Here, we describe a synthetic strategy for late‐stage functionalization of nucleosides and nucleotides via chemo‐ and site‐selective acid‐promoted intermolecular cyclization. The nucleoside analogs with an additional ring were obtained in moderate‐to‐high yields, including some antiviral drugs (acyclovir, ganciclovir, and penciclovir) derivatives, endogenous fused ring nucleoside (M1dG) and its derivatives, and nucleotide derivatives. © 2023 Wiley Periodicals LLC.

Basic Protocol 1: Synthesis of tricyclic acyclovir analogs (3a‐3c)

Basic Protocol 2: Synthesis of tricyclic nucleosides M1dG (6) and M1G (9)

Basic Protocol 3: Synthesis of tricyclic nucleotide (12)
High‐pressure Synthesis, Structure, IR Spectroscopy, and Theoretical Calculations of the New Silver Tetraborate Ag2B4O7 with a Unique Crystal Structure
Authors: Ziegler Raimund , Purtscher Felix R. S. , Hofer Thomas S. , Huppertz Hubert
Published: May 2023

Ag2B4O7 is synthesized at high‐pressure/high‐temperature conditions of 11 GPa and 1073 K in a multianvil device. It crystallizes in the monoclinic centrosymmetric space group P21/c (no. 14) with four formula units per unit cell (Z=4). The cell parameters are a=787.53(3), b=651.63(2), c=943.88(3) pm, β=107.911(2)°, and V=460.90(3) Å3. Ag2B4O7 crystallizes in a unique crystal structure that consists of complex anionic borate layers with Ag+ ions in between. Additionally, the silver cations show argentophilic interactions. The compound was analysed via single‐crystal and powder diffraction as well as infrared spectroscopy. Furthermore, theoretical calculations at HSEsol level were conducted.
Finally Stable and Homoleptic: Isolation and Characterization of {Cu[Fe(CO)5]2}+ Stabilized with Perfluoroalkoxyaluminate Anion, [Al(OC(CF3)3)4]−
Authors: Zhuravlev Vadim , Malinowski Przemysław J.
Published: May 2023

Developments in the chemistry of weakly coordinating anions enabled isolation of numerous unique metal complexes with unusual ligands. An important example is the family of metal‐Fe(CO)5 complexes. In the current paper we present synthesis and thorough characterization of the first truly homoleptic {Cu[Fe(CO)5]2}+ cation obtained as a salt of weakly coordinating [Al(ORF)4]− (RF=C(CF3)3) anion. TGA/DSC/MS study show that its decomposition becomes noticeable only above 110 °C, thus it can be stored as powder in air‐free conditions for months. The crystal structure of {Cu[Fe(CO)5]2}+ shows strong asymmetry of the cation and very short Cu‐CO bonds in comparison to analogous {M[Fe(CO)5]2}+ where M=Ag or Au. Characterization is complemented with analysis of vibrational spectra and extensive DFT calculations which give insight into the energetics of Cu+‐Fe(CO)5 systems. Our results show that {Cu[Fe(CO)5]2}+ is homoleptic only as salt of [Al(ORF)4]−. Furthermore, in the presence of additional, even weakly basic ligands, the Cu+‐Fe(CO)5 bond strength decreases what may contribute to the complex's instability in liquid SO2 or in the presence of [SbF6]−. These conclusions point at the key role of selection of proper anion and solvent in stabilization of these types of complexes.
Multifaceted Behavior of 2‐Cyanobenzaldehyde and 2‐Acylbenzonitriles in the Synthesis of Isoindolinones, Phthalides and Related Heterocycles
Authors: Mousavi Mohammad Sadeq , Di Mola Antonia , Massa Antonio
Published: May 2023

2‐Cyanobenzaldehye (also called 2‐formylbenzonitrile) and related 2‐acylbenzonitriles belong to a class of bifunctional aromatic compounds that emerged as useful starting materials in developing efficient cascade‐type reactions leading to different heterocyclic compounds. The variety of sometimes unpredictable mechanisms that rise from these structurally simple starting materials renders this class of compounds unique to afford, through divergent cascade reactions, heterocycles like isoindolinones, phthalides (also known with the name of isobenzofuranones), imidates, and in less extent isoindolin‐1‐imine, six‐ and seven‐membered heterocycles, porphyrins, also in asymmetric way exploiting different organocatalytic activation modes. To give a picture, this chemistry can be associated to Goldberg variations which stem from a common motive in a pressing and surprising way. In this Review, emphasis is also given to the synthetic methods for the access to substituted 2‐cyanobenzaldehydes and 2‐acylbenzonitriles which allowed to enlarge the scope of the described cascade reactions.
A numerical study on the effects of using combined flow fields and obstacles on the performance of proton exchange membrane fuel cells
Authors: Chen Yuan , Liu Xiaori , Rao Zhonghao
Published: May 2023

The flow field structure has an important influence on the comprehensive performance of the proton exchange membrane fuel cell (PEMFC). This research investigates the effects of combined flow fields on the distribution of species concentration, the pressure drop, and the overall performance of PEMFC based on the polarization curve and power consumption ratio (PCR). Obstacles are arranged in different areas to study the mass transfer of the gas inside the combined flow field. The results show that the combined serpentine flow field improves the concentration distribution of species and the performance of the cell is enhanced with the increase of the proportion of the single‐channel serpentine structure in the combined flow field, but the PCR is decreased. The energy efficiency conversion in the low voltage region is better when the obstacles are arranged in the entire flow field. Moreover, the vortex effect generated by the obstacles enhances the convection ability under the rib parallel to the inlet direction, while the transverse vortex and secondary flow perpendicular to the inlet direction are weakened by the flow field structure so that the mass transfer of gas is enhanced.
Newborns during the crisis: Evidence from the 1980s′ farm crisis
Authors: Yu Chan
Published: May 2023

The sudden and jumping interest rate in the early 1980s triggered a severe economic crisis in the US agriculture sector. To identify the effects of wealth losses on the health condition of cohorts born in the midst of the crisis, this paper constructs an instrumental variable for wealth by exploiting the geographic variation in crop production and the timing of the shock. This study finds that wealth losses generates long‐lasting health impacts for these newborns. A one percent wealth loss leads to an approximately 0.008 and 0.003 percentage point increase in the low and very low birth weight rates, respectively. In addition, cohorts growing up in areas of greater impacts have worse self‐reported health condition before age 17 than others. They also have more metabolic‐syndrome issues and smoke more regularly than other cohorts in adulthood. Lower expenditures on food and prenatal care might explain the negative health effects on cohorts born during the crisis. The study shows that households in areas with greater wealth losses have more declining expenditures on food at home and prenatal‐care doctor visits.
Patient‐reported outcomes in immunotherapy for head and neck cancer
Authors: Kirtane Kedar , Hoogland Aasha I. , Li Xiaoyin , Rodriguez Yvelise , Scheel Kelsey , Small Brent J. , Oswald Laura B. , Muzaffar Jameel , Kish Julie A. , Bonomi Marcelo , Bhateja Priyanka , Saba Nabil F. , Steuer Conor E. , Chung Christine H. , Jim Heather S. L.
Published: May 2023

Background

Data about patient‐reported outcomes (PROs) among patients with head and neck squamous cell carcinoma (HNSCC) treated with immune checkpoint inhibitors are sparse. Our exploratory study evaluated PROs in patients with HNSCC starting treatment with immune checkpoint inhibitor monotherapy or combination therapy with cetuximab.

Methods

Patients were recruited prior to receipt of their first checkpoint inhibitor therapy infusion. Participants completed measures of checkpoint inhibitor toxicities and quality of life (QOL) at on‐treatment clinic visits.

Results

Among patients treated with checkpoint inhibitor monotherapy (n = 48) or combination therapy (n = 38) toxicity increased over time (p < 0.05), while overall QOL improved from baseline to 12 weeks, with stable or declining QOL thereafter (p < 0.05). There were no group differences in change in toxicity index or QOL. Toxicity index scores were significantly higher in the combination group at 18–20 weeks and 6 months post‐initiation of immune checkpoint inhibitor (p < 0.05). There were no significant group differences at baseline, the 6–8 week (p = 0.13) or 3‐month (p = 0.09) evaluations. The combination group reported better emotional well‐being at baseline than the monotherapy group (p = 0.04), There were no other group differences QOL at baseline or later timepoints.

Conclusions

Despite increasing patient‐reported toxicity, checkpoint inhibitor monotherapy and combination therapy were associated with similar transient improvements, then worsening, of QOL in patients with HNSCC.
Metastatic renal cell carcinoma to the thyroid with cervicothoracic venous tumor thrombosis
Authors: Hellums Ryan N. , Kovatch Kevin J. , Friscia Michael E. , Schwartz Tyler R. , Pellitteri Phillip K.
Published: May 2023

Introduction

Metastatic renal cell carcinoma (RCC) represents 25%–42% of metastatic thyroid malignancies. Propensity for RCC to demonstrate intravascular extension to the inferior vena cava is well documented. We present an analogous phenomenon of intravascular extension to the internal jugular vein (IJV) from thyroid gland metastasis.

Methods

A 69‐year‐old male presented with metastatic RCC of the right thyroid lobe. Imaging demonstrated tumor thrombosis of the ipsilateral IJV, extending inferiorly to the junction of the brachiocephalic, subclavian, and internal jugular veins within the mediastinum.

Results

Surgical excision required control of both the IJV in the neck and mediastinal venous great vessels via sternotomy, prior to subtotal thyroidectomy and venotomy for en bloc resection.

Conclusion

This case report describes metastatic RCC to the thyroid gland with cervicothoracic venous tumor thrombosis successfully treated with subtotal thyroidectomy, sternotomy for venotomy and tumor thrombectomy, and preservation of IJV conduit.
Prognostic impact of kallikrein‐related peptidase transcript levels in prostate cancer
Authors: Lehto Timo‐Pekka K. , Kovanen Ruusu‐Maaria , Lintula Susanna , Malén Adrian , Stürenberg Carolin , Erickson Andrew , Pulkka Olli‐Pekka , Stenman Ulf‐Håkan , Diamandis Eleftherios P. , Rannikko Antti , Mirtti Tuomas , Koistinen Hannu
Published: May 2023

We aimed to study mRNA levels and prognostic impact of all 15 human kallikrein‐related peptidases (KLKs) and their targets, proteinase‐activated receptors (PARs), in surgically treated prostate cancer (PCa). Seventy‐nine patients with localized grade group 2‐4 PCas represented aggressive cases, based on metastatic progression during median follow‐up of 11 years. Eighty‐six patients with similar baseline characteristics, but no metastasis during follow‐up, were assigned as controls. Transcript counts were detected with nCounter technology. KLK12 protein expression was investigated with immunohistochemistry. The effects of KLK12 and KLK15 were studied in LNCaP cells using RNA interference. KLK3, ‐2, ‐4, ‐11, ‐15, ‐10 and ‐12 mRNA, in decreasing order, were expressed over limit of detection (LOD). The expression of KLK2, ‐3, ‐4 and ‐15 was decreased and KLK12 increased in aggressive cancers, compared to controls (P < .05). Low KLK2, ‐3 and ‐15 expression was associated with short metastasis‐free survival (P < .05) in Kaplan‐Meier analysis. PAR1 and ‐2 were expressed over LOD, and PAR1 expression was higher, and PAR2 lower, in aggressive cases than controls. Together, KLKs and PARs improved classification of metastatic and lethal disease over grade, pathological stage and prostate‐specific antigen combined, in random forest analyses. Strong KLK12 immunohistochemical staining was associated with short metastasis‐free and PCa‐specific survival in Kaplan‐Meier analysis (P < .05). Knock‐down of KLK15 reduced colony formation of LNCaP cells grown on Matrigel basement membrane preparation. These results support the involvement of several KLKs in PCa progression, highlighting, that they may serve as prognostic PCa biomarkers.
New insights on the catalytic center of proteins from peptidylprolyl isomerase group based on the FOD‐M model
Authors: Roterman Irena , Stapor Katarzyna , Konieczny Leszek
Published: May 2023

Generating the structure of the hydrophobic core is based on the orientation of hydrophobic residues towards the central part of the protein molecule with the simultaneous exposure of polar residues. Such a course of the protein folding process takes place with the active participation of the polar water environment. While the self‐assembly process leading to the formation of micelles concerns freely moving bi‐polar molecules, bipolar amino acids in polypeptide chain have limited mobility due to the covalent bonds. Therefore, proteins form a more or less perfect micelle‐like structure. The criterion is the hydrophobicity distribution, which to a greater or lesser extent reproduces the distribution expressed by the 3D Gaussian function on the protein body. The vast majority of proteins must ensure solubility, so a certain part of it—as it is expected—should reproduce the structuring of micelles. The biological activity of proteins is encoded in the part that does not reproduce the micelle‐like system. The location and quantitative assessment of the contribution of orderliness to disorder is of critical importance for the determination of biological activity. The form of maladjustment to the 3D Gauss function may be varied—hence the obtained high diversity of specific interactions with strictly defined molecules: ligands or substrates. The correctness of this interpretation was verified on the basis of the group of enzymes Peptidylprolyl isomerase—E.C.5.2.1.8. In proteins representing this class of enzymes, zones responsible for solubility—micelle‐like hydrophobicity system—the location and specificity of the incompatible part in which the specific activity of the enzyme is located and coded were identified. The present study showed that the enzymes of the discussed group show two different schemes of the structure of catalytic center (taking into account the status as defined by the fuzzy oil drop model).
Effect of Bacillus subtilis and Lactobacillus plantarum on solid‐state fermentation of soybean meal
Authors: Chen Qianqian , Liu Bo , Liu Guohong , Shi Huai , Wang Jieping
Published: May 2023

BACKGROUND

As feeding probiotics, Bacillus subtilis FJAT‐4842 and Lactobacillus plantarum FJAT‐13737 were employed to improve the nutritional value and reduce the risk of contamination in the solid‐state fermentation of soybean meal (SBM).

RESULTS

After fermentation with bacterium starters, the crude protein, free amino acid and lactic acid increased, with higher protease and cellulose activity. The addition of L. plantarum could increase the crude protein and lactic acid content by 50.1% and 94.9%, respectively. After fermentation, the contents of crude fiber and phytic acid decreased by 45.9% and 48.1%. Compared with control treatment, the addition of both B. subtilis FJAT‐4842 and L. plantarum FJAT‐13737 could effectively elevate the production of free amino acid and esters. Moreover, the addition of bacterium starter could prevent the production of mycotoxin and promote bacterial diversity of the fermented SBM. Especially, the addition of B. subtilis could reduce the relative content of Staphylococcus. After fermentation for 7 days, lactic acid bacteria including Pediococcus, Weissella and Lactobacillus became the main bacteria in the fermented SBM.

CONCLUSION

The addition of bacterium starter is of benefit with respect to improving the nutritional value and reducing the risk of contamination in the solid‐state fermentation of soybean. © 2023 Society of Chemical Industry.
A unified scheme for solving split inclusions with applications
Authors: Sumalai Phumin , Abubakar Jamilu , Kumam Poom , Salisu Sani
Published: May 2023

In this article, we propose an iterative scheme for solving a generalized split common null point problem. The iterative method uses self‐adaptive stepsizes that do not depend on the Lipschitz constants of the underlying operators. Instead, the stepsizes are updated using a simple updating formula. We prove the strong convergence theorems of the sequence generated by the iterative scheme under some mild assumptions. Furthermore, we derive iterative methods for solving split generalized variational inequality, convex feasibility, and minimization problems. In addition, some numerical illustrations are provided to support the main result.
Reconfigurable triple‐band filtering power divider with continuously tunable center frequency using multimode resonators
Authors: Ping Kang , Huang Nengcai , Lu Jing , Wang Yibo , Li Na , Zhang Gang
Published: May 2023

In this paper, a reconfigurable microstrip triple‐band filtering power divider (FPD) is proposed with continuously independent tunable center frequency (CF) by using varactor‐loaded triple‐mode resonators. The proposed tunable FPD is basically composed of a pair of varactor‐loaded triple‐mode resonators, a common input line, a pair of coupled output lines, and an isolation resistor. Based on the proposed topology, the employed triple‐mode resonators and the input/output are reasonably arranged to achieve desired triple‐passband filtering power division response. To demonstrate the feasibility of the design concept and method, a reconfigurable triple‐band FPD is designed and fabricated. The CFs of the three passbands can be adjusted independently, the frequency tuning ranges of triple‐bands are 1.63–1.79, 2.0–2.11, and 2.26–2.33 GHz with good return loss and high port‐to‐port isolation, respectively.