bluuebunny/crossref_metadata_2025 huggingface dataset:
Dialysis Central Venous Catheter–Associated Sepsis: Complimentary Role of Local Susceptibility Pattern
Authors: Uduagbamen Peter Kehinde , Soyinka Folasade Olubunmi , Bamikefa Titilope A. , Israel Michael Gbenga , Ehioghae Osaze , Idris Sandra Olufunmilayo
Published: August 2023

Introduction: Effective treatment of central venous catheters infections could be very challenging, and may require catheter removal. Reinsertion could worsen the economic burden on patient, particularly those paying out of pocket.

Methods: Management was anchored on dialysis-based nitrogenous waste, antigen and cytokines clearance, in addition to antibiotic treatment that was based on sensitivity results and, local microbial susceptibility pattern, to minimize cost.

Results: He was febrile (38.40C), had a non-tunnelled jugular vein catheter with a dirty, wet dressing with a greenish tinge. He had tachycardia (110/min), fine crepitaions in the lung bases and ascites. Blood and central line samples grew Pseudomonas aeuriginosa sensitive to Imipenem ++ (both), Vancomycin + (blood) and Ciprofloxacin + (central line). He had 4 haemodialysis sessions through the infected catheter, a dose of Vancomycin but none of Imipenem (on account of cost). He had a full course of intravenous Ciprofloxacin and Ceftazidime which was introduced on the basis of local microbial susceptibility pattern as it had been very effective in managing infective conditions in our CKD patients (either in mono or in combination therapy), particularly in patients unable to afford culture and sensitivity test . He had a good clinical and, microbiological recovery as a repeat culture after seven days of antibiotics treatment showed no growth.  The catheter was retained for use in further dialysis sessions.

Conclusion: Treatment of infected non-tunnelled dialysis catheters could be very challenging particularly in resource poor settings. The use of low cost antibiotics with positive local microbial susceptibility pattern could be very beneficial, additive and effective in treatment and in minimizing complications.
Assessment of Genetic Variability, Cause and Effect Inter-relationship among Yield Component Characters in Maize (Zea mays L.)
Authors: Reddy Paleru Brahmananda , Lal Gaibriyal M. , Reddy Y. Venkata Narendra
Published: August 2023

The present investigation was carried out to assess genetic variability parameters, correlation coefficient analysis, path analysis in 21 maize genotypes for 15 quantitative traits viz Days to 50% tasseling, Days to 50% silking, Days to 50% tasseling, anthesis – silking interval, Days to 75% maturity, Plant height (cm), Ear height (cm), Cob length (cm), Cob girth (cm), Cob weight (g), Number of grain rows per cob, Number of grains per row, 100 grains weight (g), Biological yield per plant (g), Harvest index (%), Grain yield per plant (g) in Randomized Block Design with three replications in Kharif season of 2022 in experimentation field, Department of Genetics and Plant Breeding, Naini Agricultural Institute, Sam Higginbottom University Of Agriculture, Technology and Sciences, Prayagraj. Analysis of Variance revealed that high significant differences among the genotypes of all traits. Genotypes VL 19458, VL 19457, VL 183879, VL 19453 had depicted higher grain yield per plant. All the characters had expressed high to moderate estimates of heritability. GCV and PCV investigations revealed a high level of variation and the impact of environment in exhibiting of these traits. Grain yield per plant was positively and significantly associated at both genotypic and phenotypic levels, according to the correlation coefficient analysis between yield and yield attributing traits. In Phenotypic and Genotypic Path analysis a detailed analysis of diagonal values show positive direct effect on Grain yield per plant.
Optimizing Nutrient Management Practices for Cauliflower in Hill Zone of West Bengal: An Integrated Approach
Authors: Tarafder Hriday Kamal , Roy Koushik
Published: August 2023

A set of experiments was conducted at Hill Zone of West Bengal, Kalimpong for two seasons (2019 & 2020) to standardize integrated nutrient management for optimum growth and yield of cauliflower. Different organic nutrient sources, such as farm yard manure (FYM), poultry manure (PM), and vermicompost (VC), were used to partially replace the recommended dose of chemical fertilizer. The treatments we used were as follows: T1= N120 P60 K60 (RDF), T2= 75% RDF+25% N through FYM (FYM@ 6 t ha-1), T3= 75% RDF+25% N through VC (VC@ 2 t ha-1), T4= 75% RDF+25% N through (PM@ 1.25 t ha-1), T5= 75% RDF+25% N through FYM + Foliar spray of B, T6= 75% RDF+25% N through FYM + Soil application of B, T7= 75% RDF+25% N through VC + Foliar spray of B, T8= 75% RDF+25% N through VC + Soil application of B, T9= 75% RDF+25% N through PM + Foliar spray of B, T10= 75% RDF+25% N through PM + Soil application of B. The treatments were set up in a randomized block design with three replication. The treatments had a significant (P<0.05) effect on cauliflower yield and soil-available macro and micronutrients due to integrated nutrient management. The maximum plant height (45.9 cm), curd wt. plant-1 (537.2 g), stalk wt. plant-1 (227.3 g), and curd yield (162.1q ha-1) was achieved with T9 treatment i.e 75% RDF+25% N through PM + Foliar spray of B. Therefore, application of 75 percent of RDF and 1.25 t ha-1 poultry manure along with foliar spray of boron at 25 and 40 days after transplanting is recommended.
Under-voltage Protection of Power Transmission Lines
Authors: Nasir Bilal Abdullah
Published: August 2023

The continuous monitoring of the protection relay of the transmission line is desirable to ensure the system disturbance such as fault inception is detected in the transmission line. Therefore, the fault on the transmission line needs to be detected, classified, and located accurately to maintain the stability of the system. This paper presents design enhancement and development under voltage relay in power system protection using MATLAB/Simulink. The contacts of the under-voltage relay operate when voltage drops below a set voltage. It is used for protection against voltage drops to detect the short circuit. This work is carried out for all types of faults which only related to one of the parallel transmission lines. In overall operation conditions, the sample data were generated for the system by varying the different fault types and fault locations. This design system proposes the use of the MATLAB/Simulink-based method for fault classification and location of various types of faults.
Numerical Analysis of Cross‐Sectional Effects During the Magnetic Pulse Disassembly of Laminate Structures
Authors: Lagain Benoit , Heuzé Thomas , Racineux Guillaume , Arrigoni Michel
Published: August 2023

To improve the performances of engineered systems, laminate composite structures are widely used as they offer the best strength‐to‐weight ratio. However, maintenance and recycling of these structures still remain a challenge. One solution can be to disassemble the layers, without damaging them, so that they can be repaired, reused, or recycled. To do so, impulsive sources such as high pulsed powers are considered. Herein, the influence of transverse or cross‐sectional effects on the wave propagation within the laminate and on its disassembly conditions is studied by means of two‐dimensional numerical simulations performed on a model assembly using the finite element method. The specimen considered is an aluminum/steel assembly joined along a stripe. Two different modelings of the loading applied to the laminate of increasing complexity are successively considered. First, linear elastodynamic simulations show that transverse effects reduce by around 12% the maximum achievable interfacial tensile stress ratio compared with that predicted by the 1D reference model. Then, weakly coupled eddy current‐linear elastodynamic numerical analyses clarify the latter result with an estimation of about 16% with respect to the 1D analytical solution. These results permit the design of experiments serving as a proof of concept of the proposed process.
Morphology Control of Li2S Deposition via Geometrical Effect of Cobalt‐Edged Nickel Alloy to Improve Performance of Lithium–Sulfur Batteries
Authors: Jiang Yicheng , Liu Sheng , Gao Xueping , Li Guoran
Published: August 2023

Rechargeable lithium–sulfur batteries operate based on the interconversion between sulfur and Li2S. Due to its insoluble and insulated nature, Li2S deposition is kinetically sluggish, which has an important effect on performance of lithium–sulfur batteries. In this work, cobalt‐edged nickel alloy is designed and used as host material of sulfur cathodes to manipulate the behavior and morphology of Li2S deposition. It is found that Co and Ni have different catalytic kinetic characteristics for Li2S deposition reactions, and the difference in nucleation and growth rates of Li2S and geometrical effect of Co‐edged Ni alloy can cause a well‐spaced morphology to prevent premature surface passivation, thereby improving sulfur utilization and rate capability of the cathodes. As a result, the thick sulfur cathode using cobalt‐edged nickel as host material with a sulfur loading of 4.0 mg cm−2 shows an initial capacity of 1229.3 mA h g−1 at electrolyte/sulfur ratio of 8 µL mg−1, as well as high capacity retention of 92.2% at 0.2 C during 100 cycles. These results provide an alternative perspective not only for developing new mixed host materials for lithium–sulfur batteries, and also for further understanding the existing works using composite host materials.
A Soft Biodegradable Chitosan‐Based Medical Microrobot with Optimized Structural Design and X‐Ray Visibility for Targeted Vessel Chemoembolization
Authors: Go Gwangjun , Song Hyeong‐Woo , Nan Minghui , Lee Junhyeok , Kim Seokjae , Park Jong‐Oh , Choi Eunpyo
Published: August 2023

Although many medical microrobots have been developed for treating diseases, their designs have not been optimized for disease environments and their functionality and capabilities have been primarily demonstrated in vitro. In addition, the imaging of microrobots within blood vessels in deep tissues remains a challenge. Herein, a chitosan‐based biodegradable microrobot with optimized structural design and X‐ray imaging for targeted vessel chemoembolization is reported. The design of the microrobot takes into account its magnetizability and stackability in blood vessels. The microrobot is prepared through laser micromachining of a porous chitosan sheet, attachment of nanoparticles, and filling the pores with gelatin. The optimized microrobot is biocompatible, biodegradable, thrombogenic, magnetically targetable, and drug‐loadable, as demonstrated both in vitro and in a blood vessel phantom. X‐ray imaging of the gold nanoparticle‐attached microrobots compares well with using commercial iodinated contrast materials, thereby demonstrating their real‐time long‐term X‐ray imaging capability. The in vivo real‐time imaging and targeted vessel embolization of the microrobot are demonstrated in rat liver. The proposed microrobot overcomes the limitations of embolic microbeads currently used in targeted vessel chemoembolization (i.e., targeted vessel blocking and X‐ray visibility) and expands the capability of microrobots in advanced platforms for treating human diseases.
Gelable and Adhesive Powder for Lethal Non‐Compressible Hemorrhage Control
Authors: Zhang Kaiwen , Xian Yiwen , Li Ming , Pan Zheng , Zhu Ziran , Yang Yu , Wang Hufei , Zhang Licheng , Zhang Chong , Wu Decheng
Published: August 2023

Hemostatic powders are widely used in clinical and emergency situations but often exhibit low wet adhesion, cytotoxicity concerns, and do not work well for lethal non‐compressible hemorrhage. Here a new kind of gelable and adhesive powder (GAP) is developed, which integrates chitosan microspheres (CM), tetra‐armed poly(ethylene glycol) amine (Tetra‐PEG‐NH2), and tetra‐armed poly(ethylene glycol) succinimidyl succinate (Tetra‐PEG‐SS). Upon application to the wound site, the macroporous CM can rapidly absorb the interfacial liquids, and meanwhile, the hydrated GAP turns into hydrogel (crosslinking between Tetra‐PEG‐SS and CM/Tetra‐PEG‐NH2) with stable and robust adhesion to the wet tissue though covalent bonding. The in vitro and in vivo results suggest that the GAP with optimized formulation exhibits strong tissue adhesive, high burst pressure, and enhanced blood clotting ability, as well as excellent biocompatibility and on‐demand removal properties. A significantly improved hemostatic efficacy is demonstrated in the rat liver, spleen, and femoral artery injury models compared to that of the CM, commercial fibrin glue, and Yunnan Baiyao (YB). The GAP can also halt the severe bleeding from pig visceral organs. Overall, the proposed GAP has many advantages including good biocompatibility, rapid and effective hemostasis, low cost, and ease of use, making it as a promising hemostat for lethal non‐compressible hemorrhage control.
High‐Efficiency Thermoelectric Module Based on High‐Performance Bi0.42Sb1.58Te3 Materials
Authors: Wu Gang , Zhang Qiang , Fu Yuntian , Tan Xiaojian , Noudem Jacques G. , Zhang Zongwei , Cui Chen , Sun Peng , Hu Haoyang , Wu Jiehua , Liu Guo‐Qiang , Jiang Jun
Published: August 2023

Bismuth‐telluride‐based alloy is the sole thermoelectric candidate for commercial thermoelectric application in low‐grade waste heat harvest near room temperature, but the sharp drop of thermoelectric properties at higher temperature and weak mechanical strength in zone‐melted material are the main obstacles to its wide development for power generation. Herein, an effective approach is reported to improve the thermoelectric performance of p‐type Bi0.42Sb1.58Te3 hot‐pressed sample by incorporating Ag5SbSe4. A peak ZT of 1.40 at 375 K and a high average ZT of 1.25 between 300 and 500 K are achieved. Such outstanding thermoelectric performance originates from the synergistic effects of improved density‐of‐states effective mass, reduced bipolar thermal conductivity by the boosted carrier concentration, and suppressed lattice thermal conductivity by the induced phonon scattering centers including substitute point defects, dislocations, stress–strain clusters, and grain boundaries. Comprised of the p‐type Bi0.42Sb1.58Te3 + 0.10 wt% Ag5SbSe4 and zone‐melted n‐type Bi2Te2.7Se0.3, the thermoelectric module exhibits a high conversion efficiency of 6.5% at a temperature gradient of 200 K, indicating promising applications for low‐grade heat harvest near room temperature.
Turning Silica into Enzymes by Hydrogenation: Simultaneously Achieving Oxygen Vacancy Engineering and Tumor Adaptive Accumulation for NIR‐II‐Potentiated Therapy
Authors: Liu Mengting , Ye Jin , Liu Shuang , Xu Xiuping , Cui Yujie , Qu Jiawei , Zhang Zhiyong , Zhang Kefen , Niu Na , Chen Ligang , Fu Yujie , Xu Jiating
Published: August 2023

Molybdenum (Mo)‐based nanozymes have been attracting increasingly extensive attention in photocatalytic antitumor field due to their versatile physicochemical properties, whereas the limited light capture rate and high recombination rate of photogenerated carriers seriously impedes their further development. Herein, MoO3‐starring silica nanozymes with hyaluronic acid modification (HMMSNs@HA) are innovated by hydrogenation to simultaneously achieve oxygen vacancies (OVs) engineering and tumor adaptive accumulation for the second near‐infrared (NIR‐II, 1064 nm) light‐potentiated thermal‐catalytic therapy. The hydrogenation‐regulated OVs can narrow the band gap of HMMSNs from 2.66 to 1.16 eV, achieving optimal optical absorption in NIR‐II region. Additionally, HMMSNs hold high separation efficacy of electron‐hole pairs to facilitate the generation of reactive oxygen species under laser irradiation. Significantly, HMMSNs@HA are stable in tumor microenvironment, while can degrade in normal physiological conditions, thereby offering tumor‐adaptive accumulation. Synchrotron radiation‐based extended X‐ray absorption fine structure spectroscopy reveals that OVs enabling the Mo4+ and Mo5+ formation, which can react with tumor endogenous H2O2 to produce hydroxyl radicals. Furthermore, OVs‐induced localized surface plasmon resonance effect endows the nanozymes with photothermal conversion efficacy of 32.3%, which affords NIR‐II‐excited photonic hyperthermia‐enhances catalytic therapy. All the experimental results demonstrate the high safety and superiorities of HMMSNs@HA for NIR‐II‐initiate therapy.
Protein and Peptide‐Based Nanotechnology for Enhancing Stability, Bioactivity, and Delivery of Anthocyanins
Authors: Zhang Lei , Yao Liang , Zhao Feng , Yu Alice , Zhou Yueru , Wen Qingmei , Wang Jun , Zheng Tao , Chen Pu
Published: August 2023

Anthocyanin, a unique natural polyphenol, is abundant in plants and widely utilized in biomedicine, cosmetics, and the food industry due to its excellent antioxidant, anticancer, antiaging, antimicrobial, and anti‐inflammatory properties. However, the degradation of anthocyanin in an extreme environment, such as alkali pH, high temperatures, and metal ions, limits its physiochemical stabilities and bioavailabilities. Encapsulation and combining anthocyanin with biomaterials could efficiently stabilize anthocyanin for protection. Promisingly, natural or artificially designed proteins and peptides with favorable stabilities, excellent biocapacity, and wide sources are potential candidates to stabilize anthocyanin. This review focuses on recent progress, strategies, and perspectives on protein and peptide for anthocyanin functionalization and delivery, i.e., formulation technologies, physicochemical stability enhancement, cellular uptake, bioavailabilities, and biological activities development. Interestingly, due to the simplicity and diversity of peptide structure, the interaction mechanisms between peptide and anthocyanin could be illustrated. This work sheds light on the mechanism of protein/peptide–anthocyanin nanoparticle construction and expands on potential applications of anthocyanin in nutrition and biomedicine.
High‐Performance Liquid‐Repellent and Thermal–Wet Comfortable Membranes Using Triboelectric Nanostructured Nanofiber/Meshes
Authors: Gong Xiaobao , Ding Mingle , Gao Ping , Liu Xiaoyan , Yu Jianyong , Zhang Shichao , Ding Bin
Published: August 2023

Skin‐like functional membranes with liquid resistance and moisture permeability are in growing demand in various applications. However, the membranes have been facing a long‐term dilemma in balancing waterproofness and breathability, as well as resisting internal liquid sweat transport, resulting in poor thermal–wet comfort. Herein, a novel electromeshing technique, based on manipulating the ejection and phase separation of charged liquids, is developed to create triboelectric nanostructured nano‐mesh consisting of hydrophobic ferroelectric nanofiber/meshes and hydrophilic nanofiber/meshes. By combining the true nanoscale diameter (≈22 nm), small pore size, and high porosity, high waterproofness (129 kPa) and breathability (3736 g m−2 per day) for the membranes are achieved. Moreover, the membranes can break large water clusters into small water molecules to promote sweat absorption and release by coupling hydrophilic wicking and triboelectric field polarization, exhibiting a satisfactory water evaporation rate (0.64 g h−1) and thermal–wet comfort (0.7 °C cooler than the cutting‐edge poly(tetrafluoroethylene) protective membranes). This work may shed new light on the design and development of advanced protective textiles.
Processable Hydroxide Ink with Oriented Microstructure
Authors: Xie Yuanyang , Yu Chang , Zhang Xiubo , Gu Guibin , Yu Jinhe , Yang Yi , Qiu Jieshan
Published: August 2023

The intrinsic poor processability of hydroxide originating from the structural property greatly hinders their practical applications. Here, a processable highly‐concentrated nickel/cobalt double hydroxide ink is reported to meet the practical demand. The inner nanoflakes in ink possess a high width/thickness ratio (>100), which endows the highly‐concentrated ink (60 mg mL−1) with liquid‐like rheology properties. Further, the elliptical diffusive arc in small‐angle X‐ray scattering pattern and porous and ordered alignment morphology in cryogenic temperature scanning electron microscopy confirms the locally oriented arrangement of nanoflakes in the ink. Benefiting from this interior‐ordered structure, the ink can be processed into meter‐level film, continuous yarn, and rigid and free‐standing aerogel, respectively. In particular, the films can be used as electrodes directly in aqueous zinc ion batteries and deliver a favorable capacity (382 mAh g−1 @ 200 mA g−1) as well as long cycle stability (capacity retention rate of 88% @ 1000 mA g−1 after 400 cycles). Moreover, the enlarged‐batched fabrication with the introduction of efficient thermal conduction in a 10 L reactor is also carried out successfully. These results clarify the inner relationship between microstructure‐rheology and mechanical engineering for hydroxides, thus paving the way to develop hydroxide‐based products for future practical applications.
Plasmonic Metasurfaces with Quality Factors Up to 790 in the Visible Regime
Authors: Li Guangyuan , Du Xiang , Xiong Lei , Yang Xiuhua
Published: August 2023

Plasmon metasurfaces supporting surface lattice resonances (SLRs) have emerged as an exciting platform for manipulating nanoscale light‐matter interactions in expanding applications. Although great progress has been achieved, the quality factors of plasmonic metasurfaces remain quite limited especially in the visible regime, hindering practical applications. This study reports an SLR‐based plasmonic metasurface with an ultrahigh quality factor that reaches 1427 in theory and 790 in experiments at 712 nm, a 240% increase over the state of the art. The quality factor of the out‐of‐plane SLR in periodic gold or silver nanorods is augmented by an order of magnitude through reducing the nanorod height from 100 to 50 nm. With these findings, this work is expected to pave the way for realizing high‐performance nanolasers, nonlinear frequency converters, and biosensors based on ultrahigh‐Q plasmonic metasurfaces.
Structural Basis for the Enzymatic Activity of the HACE1 HECT‐Type E3 Ligase Through N‐Terminal Helix Dimerization
Authors: Singh Sunil , Machida Satoru , Tulsian Nikhil Kumar , Choong Yeu Khai , Ng Joel , Shankar Srihari , Liu Yaochen , Chandiramani Krisha Vashdev , Shi Jian , Sivaraman J
Published: August 2023

HACE1 is an ankyrin repeat (AKR) containing HECT‐type E3 ubiquitin ligase that interacts with and ubiquitinates multiple substrates. While HACE1 is a well‐known tumor suppressor, its structure and mode of ubiquitination are not understood. The authors present the cryo‐EM structures of human HACE1 along with in vitro functional studies that provide insights into how the enzymatic activity of HACE1 is regulated. HACE1 comprises of an N‐terminal AKR domain, a middle (MID) domain, and a C‐terminal HECT domain. Its unique G‐shaped architecture interacts as a homodimer, with monomers arranged in an antiparallel manner. In this dimeric arrangement, HACE1 ubiquitination activity is hampered, as the N‐terminal helix of one monomer restricts access to the C‐terminal domain of the other. The in vitro ubiquitination assays, hydrogen‐deuterium exchange mass spectrometry (HDX–MS) analysis, mutagenesis, and in silico modeling suggest that the HACE1 MID domain plays a crucial role along with the AKRs in RAC1 substrate recognition.
SETDB1 Methylates MCT1 Promoting Tumor Progression by Enhancing the Lactate Shuttle
Authors: She Xiaowei , Wu Qi , Rao Zejun , Song Da , Huang Changsheng , Feng Shengjie , Liu Anyi , Liu Lang , Wan Kairui , Li Xun , Yu Chengxin , Qiu Cheng , Luo Xuelai , Hu Junbo , Wang Guihua , Xu Feng , Sun Li
Published: August 2023

MCT1 is a critical protein found in monocarboxylate transporters that plays a significant role in regulating the lactate shuttle. However, the post‐transcriptional modifications that regulate MCT1 are not clearly identified. In this study, it is reported that SETDB1 interacts with MCT1, leading to its stabilization. These findings reveal a novel post‐translational modification of MCT1, in which SETDB1 methylation occurs at K473 in vitro and in vivo. This methylation inhibits the interaction between MCT1 and Tollip, which blocks Tollip‐mediated autophagic degradation of MCT1. Furthermore, MCT1 K473 tri‐methylation promotes tumor glycolysis and M2‐like polarization of tumor‐associated macrophages in colorectal cancer (CRC), which enhances the lactate shuttle. In clinical studies, MCT1 K473 tri‐methylation is found to be upregulated and positively correlated with tumor progression and overall survival in CRC. This discovery suggests that SETDB1‐mediated tri‐methylation at K473 is a vital regulatory mechanism for lactate shuttle and tumor progression. Additionally, MCT1 K473 methylation may be a potential prognostic biomarker and promising therapeutic target for CRC.
Bottom‐Up Photosynthesis of an Air‐Stable Radical Semiconductor Showing Photoconductivity to Full Solar Spectrum and X‐Ray
Authors: Zhang Yu , Yan Yun‐Fan , Mi Jia‐Rong , Wang Shuai‐Hua , Wang Ming‐Sheng , Guo Guo‐Cong
Published: August 2023

Single‐component semiconductors with photoresponse to full solar spectrum are highly desirable to simplify the device structure of commercial photodetectors and to improve solar conversion or photocatalytic efficiency but remain scarce. This work reports bottom‐up photosynthesis of an air‐stable radical semiconductor using BiI3 and a photochromism‐active benzidine derivative as a photosensitive functional motif. This semiconductor shows photoconductivity to full solar spectrum contributed by radical and non‐radical forms of the benzidine derivative. It has also the potential to detect X‐rays because of strong X‐ray absorption coefficient. This finding opens up a new synthetic method for radical semiconductors and may find applications on extending photoresponsive ranges of perovskites, transition metal sulfides, and other materials.
Synergistic γ‐In2Se3@rGO Nanocomposites with Beneficial Crystal Transformation Behavior for High‐Performance Sodium‐Ion Batteries
Authors: Zhao Yun , Zhang Haoyue , Li Yong , Ma Canliang , Tian Wenjuan , Qi Xingguo , Han Gaoyi , Shao Zongping
Published: August 2023

Crystal transformation of metal compound cathodes during charge/discharge processes in alkali metal‐ion batteries usually generates profound impact on structural stability and electrochemical performance, while the theme in anode materials, which always occurs and completes during the first redox cycle, is rarely explored probably due to the fast transformation dynamics. Herein, for the first time, a unique crystal transformation behavior with slow dynamics in anode of sodium‐ion batteries (SIBs) is reported, which further promotes electrochemical performance. Specifically, irreversible γ → β crystal transformation of In2Se3 is observed, induced by the persistent size degradation of In2Se3 particles during repeated sodiation/desodiation, supported by a series of ex situ characterizations, such as HRTEM, XRD, and XPS of γ‐In2Se3/reduced graphene oxide (γ‐In2Se3@rGO) nanocomposite. The hybrid electrode shows ultrahigh long‐term cycling stability (378 mA h g−1 at 1.0 A g−1 after 1000 cycles) and excellent rate capability (272 mA h g−1 at 20.0 A g−1). Full battery with Na3V2(PO4)3 cathode also manifests superior performance, promising β‐In2Se3 dominated electrode materials in high‐power and long‐life SIBs. The first‐principle calculations suggest the crystal transformation enhances electric conductivity of β‐In2Se3 and facilitates its accessibility to sodium. In combination with the synergistic effect between rGO matrix, substantially enhanced electrochemical performance is realized.
Increasing the Magnetic Blocking Temperature of Single‐Molecule Magnets
Authors: Vieru Veacheslav , Gómez‐Coca Silvia , Ruiz Eliseo , Chibotaru Liviu F.
Published: August 2023

The synthesis of single‐molecule magnets (SMMs), magnetic complexes capable of retaining magnetization blocking for a long time at elevated temperatures, has been a major concern for magnetochemists over the last three decades. In this review, we describe basic SMMs and the different approaches that allow high magnetization‐blocking temperatures to be reached. We focus on the basic factors affecting magnetization blocking, magnetic axiality and the height of the blocking barrier, which can be used to group different families of complexes in terms of their SMM efficiency. Finally, we discuss several practical routes for the design of mono‐ and polynuclear complexes that could be applied in memory devices.
Mesoionische N‐Heterocyclische Olefine verschieben die obere Grenze der Nucleophilie‐Skala
Authors: Eitzinger Andreas , Reitz Justus , Antoni Patrick W. , Mayr Herbert , Ofial Armin R. , Hansmann Max M.
Published: August 2023

Mesoionische, 1,2,3‐Triazol‐abgeleitete N‐heterocyclische Olefine (mNHOs) mit außerordentlich elektronenreicher, exocyclischer CC–Doppelbindung wurden synthetisiert und spektroskopisch charakterisiert, z. T. durch Röntgenstrukturanalyse. Die Kinetik der mNHO‐Reaktionen mit Arylidenmalonaten (ArCH=C(CO2Et)2) zu zwitterionischen Addukten wurde photometrisch in THF bei 20 °C verfolgt. Die resultierenden Geschwindigkeitskonstanten 2. Ordnung k2(20 °C) korrelieren linear mit zuvor bestimmten Elektrophilieparametern E der Arylidenmalonate (Referenzelektrophile) und liefern gemäß der Beziehung lg k2(20 °C)=sN(N+E) die nucleophilspezifischen N‐ und sN‐Parameter der mNHOs. Die mNHOs sind mit 21<N<32 viel stärkere Nucleophile als herkömmliche NHOs. Einige mNHOs übertreffen sogar die Reaktivität von mono‐ und diakzeptor‐substituierten Carbanionen. Es wird an Beispielen gezeigt, dass es die so bestimmten Reaktivitätsparameter ermöglichen, die Geschwindigkeitskonstanten für mNHO‐Reaktionen mit weiteren Michael‐Akzeptoren zu berechnen. Auch die Reaktionen mit anderen elektrophilen Reaktionspartnern, inklusive Kohlenstoffdioxid, das zwitterionische mNHO‐Carboxylate bildet, lassen sich vorhersagen. Die Nucleophilie‐Parameter N korrelieren linear mit einer Linearkombination der quantenchemisch berechneten Methylkation‐Affinitäten und %Vbur („buried volumes“) der mNHOs, was ein wertvolles Werkzeug liefert, um Reaktivitäten starker Kohlenstoff‐Nucleophile maßzuschneidern.
Correspondence on “Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1”
Authors: Zhang Lixin , Liu Xueting , Wang Xinye , Zhu Guoliang , Song Heng , Cheng Ronghai , Naowarojna Nathchar , Costello Catherine E. , Liu Pinghua
Published: August 2023

In their recent Angewandte Chemie publication (doi: 10.1002/anie.202112063), Cen, Wang, Zhou et al. reported the crystal structure of a ternary complex of the non‐heme iron endoperoxidase FtmOx1 (PDB entry 7ETK). The biochemical data assessed in this study were from a retracted study (doi: 10.1038/nature15519) by Zhang, Liu, Zhang et al.; no additional biochemical data were included, yet there was no discussion on the source of the biochemical data in the report by Cen, Wang, Zhou et al. Based on this new crystal structure and subsequent QM/MM‐MD calculations, Cen, Wang, Zhou et al. concluded that their work provided evidence supporting the CarC‐like mechanistic model for FtmOx1 catalysis. However, the authors did not accurately describe either the CarC‐like model or the COX‐like model, and they did not address the differences between them. Further, and contrary to their interpretations in the manuscript, the authors’ data are consistent with the COX‐like model once the details of the CarC‐like and COX‐like models have been carefully analyzed.
Acidic Hydrogen Evolution Electrocatalysis at High‐Entropy Alloys Correlates with its Composition‐Dependent Potential of Zero Charge
Authors: Kim Moonjoo , Batsa Tetteh Emmanuel , Krysiak Olga A. , Savan Alan , Xiao Bin , Piotrowiak Tobias Horst , Andronescu Corina , Ludwig Alfred , Dong Chung Taek , Schuhmann Wolfgang
Published: August 2023

The vast possibilities in the elemental combinations of high‐entropy alloys (HEAs) make it essential to discover activity descriptors for establishing rational electrocatalyst design principles. Despite the increasing attention on the potential of zero charge (PZC) of hydrogen evolution reaction (HER) electrocatalyst, neither the PZC of HEAs nor the impact of the PZC on the HER activity at HEAs has been described. Here, we use scanning electrochemical cell microscopy (SECCM) to determine the PZC and the HER activities of various elemental compositions of a Pt−Pd−Ru−Ir−Ag thin‐film HEA materials library (HEA‐ML) with high statistical reliability. Interestingly, the PZC of Pt−Pd−Ru−Ir−Ag is linearly correlated with its composition‐weighted average work function. The HER current density in acidic media positively correlates with the PZC, which can be explained by the preconcentration of H+ in the electrical double layer at potentials negative of the PZC.
Different aspects of polymer films based on low‐density polyethylene using graphene as filler
Authors: Medeiros Gabriela S. , Nisar Muhammad , Peter Jakub , Andrade Ricardo J. E. , Fechine Guilhermino J. M.
Published: August 2023

The focus of the present work is to prepare low‐density polyethylene (LDPE)‐graphene (G) nanocomposite films with improved gas barrier properties by melt extrusion. A narrow range of the graphene (0.05–0.3 wt.%) as filler was used in the LDPE matrix. The rheological analysis indicating that there is no significant influence on the LDPE chains mobility with the addition of filler. The nanocomposites percent crystallinity (Xc%) increase from 25.0% to 31.6% compared to neat LDPE. The X‐ray diffractogram shows a change in width half height of the peak positioned at 26° ((002) plane) from 0.69 (graphite) to 1.24 (graphene), revealing the asymmetry of this plane. The optical microscopy images show a good dispersion of the nanoparticles in the polymer matrix. The mechanical properties of the nanocomposites in longitudinal direction demonstrate better improvement with addition of the filler as compared to the transverse direction. The contact angle measurements of nanocomposites for water and ethylene glycol do not shows a significant variation in comparison to neat LDPE. The nanocomposites show 26% enhancement in the oxygen barrier property. Thus, here we present the cost‐effective LDPE‐graphene nanocomposites with improve oxygen barrier property, which can be used in different industrial application especially in food packaging.
Theoretical Investigations of Palladium‐Catalyzed [3+2] Annulation via Benzylic and meta C−H Bond Activation
Authors: Yoshimoto Rie , Taborosi Attila , He Qiyuan , Ano Yusuke , Chatani Naoto , Mori Seiji
Published: August 2023

The palladium‐catalyzed reaction of aromatic amides with maleimides results in the formation of a double C−H bond activation product, which occurs at both the benzylic and meta positions. Computational chemistry studies suggest that the first C−H bond activation unfolds via a six‐membered palladacycle, maleimide insertion, protonation of the Pd−N bond, and then activation of the meta C−H bond. The process concludes with reductive elimination, producing an annulation product. The energy decomposition analysis (EDA) showed that the deformation energy favors the ortho C−H bond activation process. However, this route is non‐productive. The interaction energy controls the site where the maleimide is inserted into the Pd−C(sp3) bond, which determines its site selectivity. The energetic span model indicates that the meta C−H bond activation step is the one that determines the turnover frequency. Regarding the directing group, it has been concluded that the strong Pd−S bonding and the destabilizing effect of the deformation energy allow the 2‐thiomethylphenyl to function effectively as a directing group.
Evaluation of a single‐use disk stack centrifuge for improved efficiency and sustainability at 1000 L GMP manufacturing scale
Authors: Walker Joshua , Lam Yik , Loman Abdullah , Smelko John P. , Rohr Michael
Published: August 2023

Direct depth filtration is an established technology for single‐use harvest operation. Advantages of direct depth filtration include familiarity with depth filtration in downstream processes and simplicity of the operation. Drawbacks include low capacity, large footprint, labor‐intensive set‐up, high water use, and high waste in the form of discarded filters. Single‐use centrifugation is emerging as an alternative to depth filtration for the single‐use harvest step. Within the single‐use centrifugation space, disc stack centrifugation represents the newest entrant. In this study, we evaluated the performance of the GEA kytero single‐use disc stack centrifuge to clarify two monoclonal antibody‐producing cell culture fluids. The separation performance of the GEA kytero centrifuge varied between the two cell culture fluids, with differences in centrate turbidity and centrate filterability measured. A comparison was then performed to determine resource savings, compared to direct two‐stage depth filtration, when using a GEA kytero centrifuge to harvest a 1000 L bioreactor. The analysis concluded that replacement of the first stage of depth filters with a GEA kytero centrifuge has the potential to decrease the required second stage depth filtration area by up to 80%. The decrease in depth filter area resulting from the use of the GEA kytero would result in a decrease in the harvest step footprint, a decrease in buffer volume required to prime and rinse depth filters, and a decrease in the volume of plastic waste. An economic comparison of the GEA kytero single‐use centrifuge against a direct depth filtration step found that for a 1000 L harvest step, the GEA kytero centrifuge may reduce costs by up to 20% compared with two‐stage direct depth filtration.
A multicenter, phase II trial of GC1118, a novel anti‐EGFR antibody, for recurrent glioblastoma patients with EGFR amplification
Authors: Choi Seung Won , Jung Hyun Ae , Cho Hee‐Jin , Kim Tae Min , Park Chul‐Kee , Nam Do‐Hyun , Lee Se‐Hoon
Published: August 2023

Background

We evaluated the therapeutic efficacy of GC1118, a novel anti‐epidermal growth factor receptor (EGFR) monoclonal antibody, in recurrent glioblastoma (GBM) patients with EGFR amplification.

Methods

This study was a multicenter, open‐label, single‐arm phase II trial. Recurrent GBM patients with EGFR amplification were eligible: EGFR amplification was determined using fluorescence in situ hybridization analysis when a sample had both the EGFR/CEP7 ratio of ≥2 and a tight cluster EGFR signal in ≥10% of recorded cells. GC1118 was administered intravenously at a dose of 4 mg/kg once weekly. The primary endpoint was the 6‐month progression‐free survival rate (PFS6). Next‐generation sequencing was performed to investigate the molecular biomarkers related to the response to GC1118.

Results

Between April 2018 and December 2020, 21 patients were enrolled in the study and received GC1118 treatment. Eighteen patients were eligible for efficacy analysis. The PFS6 was 5.6% (95% confidence interval, 0.3%–25.8%, Wilson method). The median progression‐free survival was 1.7 months (range: 28 days–7.2 months) and median overall survival was 5.7 months (range: 2–22.0 months). GC1118 was well tolerated except skin toxicities. Skin rash was the most frequent adverse event and four patients experienced Grade 3 skin‐related toxicity. Genomic analysis revealed that the immune‐related signatures were upregulated in patients with tumor regression.

Conclusion

This study did not meet the primary endpoint (PFS6); however, we found that immune signatures were significantly upregulated in the tumors with regression upon GC1118 therapy, which signifies the potential of immune‐mediated antitumor efficacy of GC1118.
The prediction of early progressive disease in patients with hepatocellular carcinoma receiving atezolizumab plus bevacizumab
Authors: Takeuchi Yasuto , Nouso Kazuhiro , Fujioka Shin‐ichi , Kariyama Kazuya , Kobashi Haruhiko , Uematsu Shuji , Moriya Akio , Hagihara Hiroaki , Takabatake Hiroyuki , Nakamura Shinichiro , Yabushita Kazuhisa , Kikuchi Tatsuya , Oyama Atsushi , Adachi Takuya , Wada Nozomu , Onishi Hideki , Shiraha Hidenori , Takaki Akinobu
Published: August 2023

Background and Aims

The IMbrave 150 trial revealed the usefulness of atezolizumab plus bevacizumab therapy in patients with unresectable hepatocellular carcinoma (HCC), making it now considered the first‐line systemic chemotherapy agent for HCC. The present study investigated factors associated with early tumor progression of atezolizumab plus bevacizumab in patients with advanced HCC in real‐world clinical practice.

Methods

A total of 184 HCC patients who received atezolizumab plus bevacizumab therapy were studied. We investigated the frequency of early progressive disease (e‐PD; PD within 9 weeks) and analyzed the risk factors for e‐PD.

Results

There were 47 patients (25.5%) diagnosed as e‐PD. Patients with e‐PD had a worse performance status (PS) and albumin–bilirubin (ALBI) and Child‐Pugh (C‐P) scores and a significantly higher rate of a systemic therapy than those with non‐e‐PD. A multivariate analysis showed that PS ≥1 (odds ratio [OR] = 4.5, 95% confidence interval [CI] = 1.9–10, p < 0.001), ALBI score ≥−2.30 (OR = 2.1, 95% CI = 1.0–4.5, p = 0.044) and the history of a systemic therapy (OR = 3.0, 95% CI = 1.4–6.4, p = 0.0038) were significant and independent determinants of e‐PD. When examining the liver function trends in e‐PD patients, the ALBI scores at 3 and 6 weeks after starting therapy were significantly higher than before the treatment (p < 0.001).

Conclusions

The liver function and systemic therapy are useful predictors of e‐PD in HCC patients treated with atezolizumab plus bevacizumab in real‐world clinical practice.
Heterogeneous tumor microenvironment in pancreatic ductal adenocarcinoma: An emerging role of single‐cell analysis
Authors: Byeon Sooin , du Toit‐Thompson Taymin , Gillson Josef , Gill Anthony J. , Samra Jaswinder S. , Mittal Anubhav , Sahni Sumit
Published: August 2023

Background

Pancreatic ductal adenocarcinoma (PDAC) is one of the deadliest malignancies in the world, for which the mortality is almost as high as the disease incidence and is predicted to be the second‐highest cause of cancer‐related deaths by 2030. These cancerous tumors consist of diversified gene expressions within the different cellular subpopulations that include neoplastic ductal cells, cancer‐associated fibroblasts, and immune cells, all of which collectively facilitate cellular heterogeneity in the PDAC tumor microenvironment (TME). Active intratumoral interaction within the cell populations in TME induces the proliferation of cancerous cells, accounting for tumorigenesis and rapid metastasis.

Methods

This review will focus on novel findings uncovering PDAC heterogeneity in different cellular subpopulations using single‐cell RNA‐sequencing (scRNA‐seq) and other single‐cell analysis technologies. It will further explore the emerging role of single‐cell technologies in assessing the role of different subpopulations of neoplastic ductal cells, cancer‐associated fibroblasts, and immune cells in PDAC progression.

Results and Conclusion

The application of scRNA‐seq in PDAC has started to unveil associations between disease progression and heterogeneity in pancreatic TME and could influence future PDAC treatment. Recent advances in scRNA‐seq have uncovered comprehensive analyses of heterogeneous ecosystems present within the TME. These emerging findings underpins further need for a more in‐depth understanding of intratumoral heterogeneity in the PDAC microenvironment.
Phytochemical Profiling and Pharmacological Evaluation of Leaf Extracts of Ruellia tuberosa L.: An In Vitro and In Silico Approach
Authors: Sharma Akanksha , Kumar Adarsh , Singh Ankit Kumar , Singh Harshwardhan , Kumar K. Jayaram , Kumar Pradeep
Published: August 2023

The present study was designed to appraise the photoprotective, antioxidant, and antibacterial bioactivities of Ruellia tuberosa leaves extracts (RtPE, RtChl, RtEA, RtAc, RtMe, and RtHMe). The results showed that, RtHMe extracts of R. tuberosa was rich in total phenolic content, i. e., 1.60 mgGAE/g dry extract, while highest total flavonoid content was found in RtAc extract, i. e., 0.40 mgQE/g. RtMe showed effective antioxidant activity (%RSA: 58.16) at the concentration of 120 μL. RtMe, RtEA and RtHMe exhibited effective in vitro antibacterial activity against Gram‐negative bacteria (E. coli). In silico docking studies revealed that paucifloside (−11.743 kcal/mol), indole‐3‐carboxaldehyde (−7.519 kcal/mol), nuomioside (−7.275 kcal/mol), isocassifolioside (−6.992 kcal/mol) showed best docking score against PDB ID 2EX8 [penicillin binding protein 4 (dacB) from Escherichia coli, complexed with penicillin‐G], PDB ID 6CQA (E. coli dihydrofolate reductase protein complexed with inhibitor AMPQD), PDB ID 2Y2I [Penicillin‐binding protein 1B in complex with an alkyl boronate (ZA3)] and PDB ID 2OLV (from S. aureus), respectively. Docked phytochemicals also showed good drug likeness properties.
Anti‐Inflammatory Activity of Lauraceae Plant Species and Prediction Models Based on Their Metabolomics Profiling Data
Authors: Gonçalves Vasconcelos de Alcântara Bianca , Neto Albert Katchborian , Garcia Daniela Aparecida , Casoti Rosana , Branquinho Oliveira Tiago , Chagas de Paula Ladvocat Ana Claudia , Edrada‐Ebel RuAngelie , Gomes Soares Marisi , Ferreira Dias Danielle , Chagas de Paula Daniela Aparecida
Published: August 2023

The Lauraceae is a botanical family known for its anti‐inflammatory potential. However, several species have not yet been studied. Thus, this work aimed to screen the anti‐inflammatory activity of this plant family and to build statistical prediction models. The methodology was based on the statistical analysis of high‐resolution liquid chromatography coupled with mass spectrometry data and the ex vivo anti‐inflammatory activity of plant extracts. The ex vivo results demonstrated significant anti‐inflammatory activity for several of these plants for the first time. The sample data were applied to build anti‐inflammatory activity prediction models, including the partial least square acquired, artificial neural network, and stochastic gradient descent, which showed adequate fitting and predictive performance. Key anti‐inflammatory markers, such as aporphine and benzylisoquinoline alkaloids were annotated with confidence level 2. Additionally, the validated prediction models proved to be useful for predicting active extracts using metabolomics data and studying their most bioactive metabolites.
State‐of‐the‐Art Review on the Applications of Nonlinear and Artificial Intelligence‐Based Controllers in Petrochemical Processes
Authors: Ansari Tuba Siraj , Taqvi Syed Ali Ammar
Published: August 2023

Petrochemical industries are facing severe challenges in controlling nonlinear processes which are to be analyzed and monitored to develop efficient control models for improved efficiency and productivity. This review focuses on the control theory of petrochemical processes along with linear and nonlinear controllers with their limitations as well as on the application of artificial intelligence (AI)‐based controllers in multiple sectors of petrochemical industries. The findings and results from the review prove that the AI control technique is a promising one in the future for uncertain dynamic systems. The paper also covers a review of the vinyl chloride monomer (VCM) process and a recent control study on the plant. Being a nonlinear system, VCM requires advanced control techniques to control the uncertain dynamics of the process. The study shows a gap in the development of control strategies applied to VCM in terms of sustainability, efficiency, and environment‐concerned issues. Valuable insights for researchers, practitioners, and engineers engaged in process control and automation in the petrochemical industry are provided.