bluuebunny/crossref_metadata_2025 huggingface dataset:
Versatile tissue‐injectable hydrogels capable of the extended hydrolytic release of bioactive protein therapeutics
Authors: Nealy Eric S. , Reed Steven J. , Adelmund Steven M. , Badeau Barry A. , Shadish Jared A. , Girard Emily J. , Brasel Kenneth , Pakiam Fiona J. , Mhyre Andrew J. , Price Jason P. , Sarkar Surojit , Kalia Vandana , DeForest Cole A. , Olson James M.
Published: April 2024

Hydrogels are extensively employed in healthcare due to their adaptable structures, high water content, and biocompatibility, with FDA‐approved applications ranging from spinal cord regeneration to local therapeutic delivery. However, clinical hydrogels encounter challenges related to inconsistent therapeutic exposure, unmodifiable release windows, and difficulties in subsurface polymer insertion. Addressing these issues, we engineered injectable, biocompatible hydrogels as a local therapeutic depot, utilizing poly(ethylene glycol) (PEG)‐based hydrogels functionalized with bioorthogonal SPAAC handles for network polymerization and functionalization. Our hydrogel solutions polymerize in situ in a temperature‐sensitive manner, persist in tissue, and facilitate the delivery of bioactive therapeutics in subsurface locations. Demonstrating the efficacy of our approach, recombinant anti‐CD47 monoclonal antibodies, when incorporated into subsurface‐injected hydrogel solutions, exhibited cytotoxic activity against infiltrative high‐grade glioma xenografts in the rodent brain. To enhance the gel's versatility, recombinant protein cargos can undergo site‐specific modification with hydrolysable “azidoester” adapters, allowing for user‐defined release profiles from the hydrogel. Hydrogel‐generated gradients of murine CXCL10, linked to intratumorally injected hydrogel solutions via azidoester linkers, resulted in significant recruitment of CD8+ T‐cells and the attenuation of tumor growth in a “cold” syngeneic melanoma model. This study highlights a highly customizable, hydrogel‐based delivery system for local protein therapeutic administration to meet diverse clinical needs.
Integrative genomic and transcriptomic profiling of pulmonary sarcomatoid carcinoma identifies molecular subtypes associated with distinct immune features and clinical outcomes
Authors: Seth Sahil , Chen Runzhe , Liu Yang , Fujimoto Junya , Hong Lingzhi , Reuben Alexandre , Varghese Susan , Behrens Carmen , McDowell Tina , Soto Luisa Solis , Haymaker Cara , Weissferdt Annikka , Kalhor Neda , Wu Jia , Le Xiuning , Vokes Natalie I , Cheng Chao , Heymach John V. , Gibbons Don L. , Futreal P. Andrew , Wistuba Ignacio I. , Kadara Humam , Zhang Jianhua , Moran Cesar , Zhang Jianjun
Published: April 2024

Background

Pulmonary sarcomatoid carcinoma (PSC) is a rare and aggressive subtype of non‐small cell lung cancer (NSCLC), characterized by the presence of epithelial and sarcoma‐like components. The molecular and immune landscape of PSC has not been well defined.

Methods

Multiomics profiling of 21 pairs of PSCs with matched normal lung tissues was performed through targeted high‐depth DNA panel, whole‐exome, and RNA sequencing. We describe molecular and immune features that define subgroups of PSC with disparate genomic and immunogenic features as well as distinct clinical outcomes.

Results

In total, 27 canonical cancer gene mutations were identified, with TP53 the most frequently mutated gene, followed by KRAS. Interestingly, most TP53 and KRAS mutations were earlier genomic events mapped to the trunks of the tumors, suggesting branching evolution in most PSC tumors. We identified two distinct molecular subtypes of PSC, driven primarily by immune infiltration and signaling. The Immune High (IM‐H) subtype was associated with superior survival, highlighting the impact of immune infiltration on the biological and clinical features of localized PSCs.

Conclusions

We provided detailed insight into the mutational landscape of PSC and identified two molecular subtypes associated with prognosis. IM‐H tumors were associated with favorable recurrence‐free survival and overall survival, highlighting the importance of tumor immune infiltration in the biological and clinical features of PSCs.
Personalized surgical recommendations and quantitative therapeutic insights for patients with metastatic breast cancer: Insights from deep learning
Authors: Zhu Enzhao , Zhang Linmei , Wang Jiayi , Hu Chunyu , Jing Qi , Shi Weizhong , Xu Ziqin , Ai Pu , Dai Zhihao , Shan Dan , Ai Zisheng
Published: April 2024

Background

The role of surgery in metastatic breast cancer (MBC) is currently controversial. Several novel statistical and deep learning (DL) methods promise to infer the suitability of surgery at the individual level.

Objective

The objective of this study was to identify the most applicable DL model for determining patients with MBC who could benefit from surgery and the type of surgery required.

Methods

We introduced the deep survival regression with mixture effects (DSME), a semi‐parametric DL model integrating three causal inference methods. Six models were trained to make individualized treatment recommendations. Patients who received treatments in line with the DL models' recommendations were compared with those who underwent treatments divergent from the recommendations. Inverse probability weighting (IPW) was used to minimize bias. The effects of various features on surgery selection were visualized and quantified using multivariate linear regression and causal inference.

Results

In total, 5269 female patients with MBC were included. DSME was an independent protective factor, outperforming other models in recommending surgery (IPW‐adjusted hazard ratio [HR] = 0.39, 95% confidence interval [CI]: 0.19–0.78) and type of surgery (IPW‐adjusted HR = 0.66, 95% CI: 0.48–0.93). DSME was superior to other models and traditional guidelines, suggesting a higher proportion of patients benefiting from surgery, especially breast‐conserving surgery. The debiased effect of patient characteristics, including age, tumor size, metastatic sites, lymph node status, and breast cancer subtypes, on surgery decision was also quantified.

Conclusions

Our findings suggested that DSME could effectively identify patients with MBC likely to benefit from surgery and the specific type of surgery needed. This method can facilitate the development of efficient, reliable treatment recommendation systems and provide quantifiable evidence for decision‐making.
Framing brand concept of vertical line extensions: The moderating role of believability
Authors: Pontes Nicolas , Leite Fernanda Polli , Goyeneche David
Published: April 2024

This article examines the influence of framing a brand's concept as functional versus symbolic in the advertising of a new vertical line extension. In this research, we carried out two online experiments and collected data from 415 participants recruited from MTurk to investigate the moderating role of believability on the effect of brand concept framing on consumers' purchase intentions of vertical line extensions. The results indicate that (i) consumers evaluate a vertical extension advertising message more positively when it is framed in a consistent manner with the targeted price/quality segment and not with its parent brand or existing product line and that (ii) this effect is moderated by consumer believability such that an advertising framing effect is found for high, but not low, in believability. Perceptions of category fit mediate the relationship between framing brand concept and the evaluation of the extension. This study contributes to the advertising and marketing literature by exploring how consumers can interpret brand concept framing in advertising messages of vertical line extensions differently depending on their level of believability and, in turn, influence their purchase intentions.
Wall‐Immobilized Biocatalyst vs. Packed Bed in Miniaturized Continuous Reactors: Performances and Scale‐Up
Authors: Michaud Maïté , Nonglaton Guillaume , Anxionnaz‐Minvielle Zoé
Published: April 2024

Sustainable biocatalysis syntheses have gained considerable popularity over the years. However, further optimizations – notably to reduce costs – are required if the methods are to be successfully deployed in a range of areas. As part of this drive, various enzyme immobilization strategies have been studied, alongside process intensification from batch to continuous production. The flow bioreactor portfolio mainly ranges between packed bed reactors and wall‐immobilized enzyme miniaturized reactors. Because of their simplicity, packed bed reactors are the most frequently encountered at lab‐scale. However, at industrial scale, the growing pressure drop induced by the increase in equipment size hampers their implementation for some applications. Wall‐immobilized miniaturized reactors require less pumping power, but a new problem arises due to their reduced enzyme‐loading capacity. This review starts with a presentation of the current technology portfolio and a reminder of the metrics to be applied with flow bioreactors. Then, a benchmarking of the most recent relevant works is presented. The scale‐up perspectives of the various options are presented in detail, highlighting key features of industrial requirements. One of the main objectives of this review is to clarify the strategies on which future study should center to maximize the performance of wall‐immobilized enzyme reactors.
Peptide‐Based Recognition Agents of Histamine: A Biopanning Approach with Enhanced Specificity
Authors: Öz Hafize , Dudak Fahriye Ceyda
Published: April 2024

Histamine is a biogenic amine that poses a potential threat to public health due to its toxicological effects. In this study, we identified histamine‐binding peptides by screening a random 12‐mer peptide library, employing a novel biopanning approach that excluded histidine‐binding sequences in the final round. This additional step enhanced the selectivity of the peptides and prevented interference from histidine during detection. The binding affinities of synthesized peptides to histamine were assessed using isothermal titration calorimetry (ITC). Among the identified peptides, HBF10 (SGFRDGIEDFLW) and HBF26 (IPLENQHKIYST) showed significant affinity to histamine, with Ka values of 2.56×104 (M−1) and 8.94×104 (M−1), respectively. Notably, the identified peptides did not demonstrate binding affinity towards histidine, despite its structural similarity to histamine. Subsequently, the surface plasmon resonance (SPR) sensor surface was prepared by immobilizing the peptide HBF26 to investigate the potential of the peptide as a recognition agent for histamine detection. The findings suggest that the identified peptides have an affinity to histamine specifically, showcasing their potential applications as diagnostic agents with specific targeting capabilities.
Addressing the Activity and Selectivity Challenges for CO2 Reduction via Transition‐Metal‐Free Homo‐ and Hetero‐Biatomic Catalysts Embedded in Two‐Dimensional Networks
Authors: Hassan Afshana , Dar Manzoor Ahmad
Published: April 2024

Designing low‐cost and stable electrocatalysts with enhanced activity and selectivity for CO2 valorization to useful chemicals and fuels faces enormous challenges to address the pressing climate change concerns. Synergistic interactions between the atoms in double atom catalysts has emerged as a promising tool to tune and boost CO2 activation and reduction. In this work, we systematically designed highly stable transition‐metal‐free homo‐ and hetero‐biatomic catalysts based on Al, Be, B and Si supported on TCNQ monolayer for CO2 reduction to C1 products using dispersion corrected periodic density functional theory calculations. Our findings reveal that transition‐metal‐free homo‐and hetero‐biatomic TCNQ catalysts can effectively capture and activate the CO2 molecule with binding energies ranging from 0.09 to 2.35 eV. Extensive free energy calculations to screen the favourable reaction pathways to different C1 products (CO, HCOOH, CH3OH and CH4) demonstrate that Al2‐TCNQ, AlBe‐TCNQ and BeSi‐TCNQ stand out as potential candidates for catalyzing CO2RR to methanol in a selective manner, suppressing the competitive HER simultaneously. Remarkably, BeSi‐TCNQ shows the best catalytic activity towards CO2 reduction to methanol at record low limiting potential of −0.29 V with spontaneous desorption of the final product. From the in‐depth examination of the electronic structure details, integrated projected density of states and crystal orbital Hamilton populations are used to understand and rationalize the binding interactions between the adsorbed CO2 molecule and the homo‐ or hetero‐biatomic TCNQ catalysts. Moreover, the ΔG*COOH‐ΔG*CO2 and ΔG*HCOOH‐ΔG* OCHO/*COOH values are found to provide reasonable guidance to evaluate the overall CO2RR performance of homo‐ and hetero‐biatomic TCNQ catalysts, respectively. Therefore, our findings provide significant insights for designing transition metal‐free homo‐ and hetero‐biatomic catalysts with intriguing properties for improving CO2 utilization and conversion.
Recent Progress on Multifunctional Electrolyte Additives for High‐Energy‐Density Li Batteries – A Review
Authors: Lei Yue , Wang Kaifeng , Jiang Sen , Xu Xin , Zheng Junzi , Yin Junying , Gao Yunfang
Published: April 2024

The improvement of the safety, specific energy, cycle life and the cost reduction of Li‐ion batteries are hot research topics. Now, in the pursuit of high energy density, the employed high‐energy‐density cathode/anode materials and the increased operation voltage challenge the prevalent electrolyte formula, like the existing ester and ether electrolytes cannot withstand the high‐voltage operation and high‐capacity anode such as lithium (Li), silicon (Si) and silicon‐graphite (Si−C) composite anode. It is recognized that stable electrolyte‐electrode interfaces can avoid the electrolytes side reactions and protect the electrode materials. Up to now, various additives have been developed to modify the electrode‐electrolyte interfaces, such as famous 4‐fluoroethylene carbonate, vinylene carbonate and lithium nitrate, and the LIBs and lithium metal batteries (LMBs) performances have been improved greatly. However, the lifespan of the higher‐energy‐density batteries with Li/Si/Si−C anode and high‐nickel layer oxides cathode materials cannot meet the request due to the lack of ideal electrolyte formula. In this review, we present a comprehensive and in‐depth overview on the electrolyte additives, especially focused on multifunctional additives, the reaction mechanisms of various additives and fundamental design. Finally, novel insights, promising directions and potential solutions for the multifunctional electrolyte additives are proposed to motivate high‐energy‐density Li battery chemistries.
Effect of Salt Concentration in Water‐In‐Salt Electrolyte on Supercapacitor Applications
Authors: Hwang Imgon , Leketas Mantas , Griffiths Kieran , Bragg Ryan , Griffin John M. , Dryfe Robert A. W.
Published: April 2024

Electrical double‐layer supercapacitors offer numerous advantages in the context of energy storage; however, their widespread use is hindered by the high unit energy cost and low specific energy. Recently, water‐in‐salt (WIS) electrolytes have garnered interest for use in energy storage devices. Nevertheless, their direct application in high‐power devices is limited due to their high viscosity. In this study, we investigate the WIS Lithium bis(trifluoromethanesulfonyl)Imide (LiTFSI) electrolyte, revealing a high specific capacitance despite its elevated viscosity and restricted ionic conductivity. Our approach involves nuclear magnetic resonance (NMR) analysis alongside electrochemical analyses, highlighting the pronounced advantage of the WIS LiTFSI electrolyte over the WIS LiCl electrolyte at the molecular level. The NMR analysis shows that the LiTFSI electrolyte ions preferentially reside within the activated carbon pore network in the absence of an applied potential, in contrast to LiCl where the ions are more evenly distributed between the in‐pore and ex‐pore environments. This difference may contribute to the difference in capacitance between the two electrolytes observed during electrochemical cycling.
Boosting Excited‐State Energy Transfer by Anchoring Dipole Orientation in Binary Thermally Activated Delayed Fluorescence/J‐Aggregate Assemblies
Authors: Ma Zhuoming , Guo Zilong , Gao Yixuan , Wang Yaxin , Du Min , Han Yandong , Xue Zheng , Yang Wensheng , Ma Xiaonan
Published: April 2024

Förster resonance energy transfer (FRET) has been widely applied in fluorescence imaging, sensing and so on, while developing useful strategy of boosting FRET efficiency becomes a key issue that limits the application. Except optimizing spectral properties, promoting orientation factor (κ2) has been well discussed but rarely utilized for boosting FRET. Herein, we constructed binary nano‐assembling of two thermally activated delayed fluorescence (TADF) emitters (2CzPN and DMAC‐DPS) with J‐type aggregate of cyanine dye (C8S4) as doping films by taking advantage of their electrostatic interactions. Time‐resolved spectroscopic measurements indicated that 2CzPN/Cy‐J films exhibit an order of magnitude higher kFRET than DMAC‐DPS/Cy‐J films. Further quantitative analysing on kFRET and kDET indicated higher orientation factor (κ2) in 2CzPN/Cy‐J films play a key role for achieving fast kFRET, which was subsequently confirmed by anisotropic measurements. Corresponding DFT/TDDFT calculation revealed strong “two‐point” electrostatic anchoring in 2CzPN/Cy‐J films that is responsible for highly orientated transitions. We provide a new strategy for boosting FRET in nano‐assemblies, which might be inspired for designing FRET‐based devices of sensing, imaging and information encryption.
Opportunities of MXenes in Heterogeneous Catalysis: V2C as Aerobic Oxidation Catalyst
Authors: Dhakshinamoorthy Amarajothi , Ramírez‐Grau Rubén , Garcia Hermenegildo , Primo Ana
Published: April 2024

MXenes are two‐dimensional nanomaterials having alternating sheets of one atom‐thick early transition metal layer and one atom‐thick carbide or nitride layer. The external surface contains termination groups, whose nature depends on the etching agent used in the preparation procedure from the MAX phase. The present concept proposes that, due to their composition, the metal‐surface termination groups make MXenes particularly suited as heterogeneous catalysts for some reactions. This proposal comes from the consideration that early transition metal atoms bonded to hydroxyl and oxo groups are a general type of active sites in heterogeneous catalysis and that similar catalytic centers can also be present in the MXene structure. After having presented the concept, we have selected V2C Mxene as an example to illustrate its catalytic activity and to show how the catalytic performance varies when the surface groups are modified. As a test reaction, we selected the aerobic oxidation of indane to the corresponding indanol/indanone mixture using molecular oxygen as terminal oxidizing reagent. Two previously reported procedures to modify the surface groups, namely surface dehydroxylation by thermal treatment under diluted hydrogen flow and surface oxidation with ammonium persulfate to convert some surface groups into oxo groups were used, observing in both cases a decrease in the catalytic activity of V2C. Based on this, VIII/IV‐OH are proposed as catalytic centers in this aerobic oxidation. Overall, the present concept shows the merits of MXenes in heterogeneous catalysis, based on their chemical composition and the surface functionality.
Two Hydroxyfluorooxoborates Achieving Deep‐Ultraviolet Cutoff Edges and Moderate Birefringence by Assembling Multi‐Anionic Groups
Authors: Cheng Huanhuan , Li Xiaojing , Pan Shilie , Yang Zhihua
Published: April 2024

Assembling multi‐anionic groups is conducive to utilizing respective advantage to achieve the enhancement of optical performance. Two new hydroxyfluorooxoborates, Ama2‐Rb2B3O3F4(OH) and K8Cs2B15O14(OH)7F20 ⋅ H2O with [B3O3F4(OH)] six‐membered rings were synthesized for the first time. The title compounds exhibit short ultraviolet cutoff edges (<200 nm) and K8Cs2B15O14(OH)7F20 ⋅ H2O possesses a moderate experimental refractive index difference of 0.051@546 nm.
Generation and Identification of the Trifluorosilylarsinidene F3SiAs and Isomeric Perfluorinated Arsasilene FAsSiF2
Authors: Deng Guohai , Riedel Sebastian
Published: April 2024

The trifluorosilylarsinidene F3SiAs in the triplet ground state has been generated through the reaction of laser‐ablated silicon atoms with AsF3 in cryogenic Ne‐ and Ar‐matrices. The reactions proceed with the initial formation of perfluorinated arsasilene FAsSiF2 in the singlet ground state by two As−F bonds insertion reaction on annealing. The trifluorosilylarsinidene F3SiAs was formed via F‐migration reactions of FAsSiF2 under irradiation at UV light (λ = 275 nm). The characterization of FAsSiF2 and F3SiAs by IR matrix‐isolation spectroscopy is supported by computations at CCSD(T)‐F12/aug‐cc‐pVTZ and B3LYP/aug‐cc‐pVTZ levels of theory.
Application of artificial neural networks and Langmuir and Freundlich isotherm models to the removal of textile dye using biosorbents: A comparative study among methodologies
Authors: Petroli Gustavo , Brocardo de Leon Vitória , Di Domenico Michele , Batista de Souza Fernanda , Zanini Brusamarello Claiton
Published: April 2024

Adsorption isotherms are valuable tools for describing the interaction between adsorbate and adsorbent since they demonstrate the equilibrium relationship. The Langmuir and Freundlich models are the most commonly used isotherm models to describe these relationships; still, they cannot consistently deliver efficient results due to the assumptions of the model not predicting more complex situations as occurs in biosorption. Artificial neural networks (ANN) are a set of algorithms modelled loosely after the human brain and are designed to recognize patterns. The ANN tool can overcome problems isotherm models have in describing the interactions mentioned and help define the best conditions for a given adsorption process. This paper reports the application of ANNs for predicting the removal efficiency of textile dye Neolan Black WA (Acid Black 52) using orange peel and sugarcane bagasse as biosorbents. The Freundlich, Langmuir, pseudo‐first‐order, and pseudo‐second‐order models were applied and compared to the ANN model. The parameters evaluated were initial dye concentration (10–600 mg/L), final dye concentration (0–83.44 mg/L), biosorbent mass (1.5 g), pH (2), and contact time of dye (0.167–24 h). Two classes of ANNs, Elman and feed‐forward networks, were tested with a mean square error of 0.0212 and 0.7274 for the isotherm and kinetics, respectively. Compared to the conventional isotherm and kinetic models, the Elman network predicted the amount adsorbed by the biosorbents with higher precision, acquiring a determination coefficient of 0.9998 and a mean square error of 8.75 × 10−5.
Chemists Invent Drugs and Drugs Save Lives**
Authors: Weaver Donald F.
Published: April 2024

Drug molecules are the centrepiece of modern medical therapies, providing relief from pain, combatting infections and providing a myriad of other therapeutic effects. The quest for new and improved drug molecules drives medical research, and the introduction of a new drug frequently becomes a newsworthy event capturing the attention of the press and general public. And yet, misconceptions abound. Often, the general public thinks that drug molecules are designed, created, and invented by physicians rather than chemists – a misunderstanding that is merely one aspect of a widespread general underappreciation of the role of chemistry in the health and socioeconomic well‐being of humankind. Chemistry as a discipline needs to change this narrative. Our journals, conferences, societies, mass media presence and social media postings need to better inform the general public about the societal value of chemistry. Though it is an arduous and time‐demanding process, chemists, both in academia and industry, invent the drugs that are advancing medical care. We chemists need to do a better job educating policy makers, politicians, opinion leaders and fundraisers about the valuable contributions of chemistry. We need to have people know what we do, and why we became chemists; we need to engage the general public.
Discovery and in vitro Evaluation of Novel Serotonin 5‐HT2A Receptor Ligands Identified Through Virtual Screening
Authors: Zięba Agata , Bartuzi Damian , Stępnicki Piotr , Matosiuk Dariusz , Wróbel Tomasz M. , Laitinen Tuomo , Castro Marián , Kaczor Agnieszka A.
Published: April 2024

The 5‐HT2A receptor is a molecular target of high pharmacological importance. Ligands of this protein, particularly atypical antipsychotics, are useful in the treatment of numerous mental disorders, including schizophrenia and major depressive disorder. Structure‐based virtual screening using a 5‐HT2A receptor complex was performed to identify novel ligands for the 5‐HT2A receptor, serving as potential antidepressants. From the Enamine screening library, containing over 4 million compounds, 48 molecules were selected for subsequent experimental validation. These compounds were tested against the 5‐HT2A receptor in radioligand binding assays. From the tested batch, six molecules were identified as ligands of the main molecular target and were forwarded to a more detailed in vitro profiling. This included radioligand binding assays at 5‐HT1A, 5‐HT7, and D2 receptors and functional studies at 5‐HT2A receptors. These compounds were confirmed to show a binding affinity for at least one of the targets tested in vitro. The success rate for the inactive template‐based screening reached 17 %, while it was 9 % for the active template‐based screening. Similarity and fragment analysis indicated the structural novelty of the identified compounds. Pharmacokinetics for these molecules was determined using in silico approaches.
Efficiency Conceptualization Model: A Theoretical Method for Predicting the Turnover of Catalysts
Authors: Bhattacharyya Himangshu Pratim , Sarma Manabendra
Published: April 2024

In recent times, the theoretical prediction of catalytic efficiency is of utmost urgency. With the advent of density functional theory (DFT), reliable computations can delineate a quantitative aspect of the study. To this state‐of‐the‐art approach, valuable incorporation would be a tool that can acknowledge the efficiency of a catalyst. In the current work, we developed the efficiency conceptualization model (ECM) that utilizes the quantum mechanical tool to achieve efficiency in terms of turnover frequency (TOF). Twenty‐six experimentally designed transition metal (TM) water oxidation catalysts were chosen under similar experimental conditions of temperature, pressure, and pH to execute the same. The computations conclude that the Fe‐based [Fe(OTf)2(Me2Pytacn)] (MWOC‐17) is a highly active catalyst and, therefore, can endure for more time in the catalytic cycle. Our results conclude that the Ir‐based catalysts [Cp*Ir(κ2‐N,O)X] with MWOC‐23: X=Cl; and MWOC‐24: X=NO3 report the highest computed turnover numbers (TONs),
of 406 and 490 against the highest experimental TONs,
of 1200 and 2000 respectively, whereas the Co‐based [Co(12‐TMC)]2+ (MWOC‐19) has the lowest TONs (
=19, τexperimental TON=16) among the chosen catalysts and thereby successful in corroborating the previous experimental results.
Supported Ionic Liquid‐Phase Materials (SILP) as a Multifunctional Group of Highly Stable Modifiers and Hardeners for Carbon and Flax Epoxy Composites
Authors: Zielinski Dawid , Szpecht Andrea , Kukawka Rafal , Dzialkowska Joanna , Pietrowski Mariusz , Zielinski Michal , Palacz Magdalena , Nadobna Paulina , Smiglak Marcin
Published: April 2024

This paper introduces a novel approach to enhance epoxy resin formulations by using SILP materials as multifunctional hardeners and fillers in composite structures reinforced with carbon and flax fibers. This study explores the integration of ionic liquids (ILs) onto a silica support structure, presenting various permutations involving silica selection, ionic liquid choice, and concentration. The focus of this study was to elucidate the influence of SILP on resin curing ability and the mechanical properties of the resulting composites. Detailed research was conducted, including Brunauer‐Emmett‐Teller analysis (BET) for SILP materials and curing characterization for epoxy resin formulations with different SILP materials. Furthermore, the mechanical properties of the obtained composites were determined by Scanning Electron Microscopy analysis (SEM) (the force at break, the maximum elongation at break, tensile strength, and modulus of elasticity). Through SILP incorporation, the mechanical properties of composites, including the modulus of elasticity and tensile strength, are substantially improved, a phenomenon akin to traditional filler effects. The findings highlight SILP materials as prospective candidates for concurrent hardening and filling roles within composites (through a single‐step procedure, with prolonged storage stability and controlled processing conditions), particularly pertinent as the composite industry veers toward epoxy bioresins necessitating liquefaction via temperature application.
Nalmefene study: A faster alternative to naloxone
Authors: Knopf Alison
Published: April 2024

In the first head‐to‐head study of nalmefene nasal spray (OPVEE is the trade name) vs. naloxone to reverse opioid overdose conducted in volunteers, researchers found that nalmefene worked faster than a 4 milligram (mg) dose of naloxone. It worked much faster, in fact, 2.7 mgs of OPVEE reversed respiratory depression within 5 minutes, compared to 20 minutes for 4 mgs of naloxone. The opioid that was given to the volunteers was remifentanil, a synthetic opioid.
Bacterial Pathogenesis: Assessment of Intracellular Positioning of Pathogen‐Containing Vacuoles During Infection
Authors: Nasser Farah , Oke Mosopefoluwa T. , Knezevic Sara , D'Costa Vanessa M.
Published: April 2024

Intracellular bacterial pathogens implement a diverse array of strategies to target host cells and establish infection. For vacuolar pathogens, the process of pathogen‐containing vacuole movement within host cells, termed intracellular trafficking, is central to both pathogen survival and infection progression. Typically a process mediated by secreted virulence factors that manipulate the host cytoskeletal machinery, internalized pathogen‐containing vacuoles traffic to the site of replication to establish a unique replicative niche, and if applicable, traffic back toward the host cell periphery for cell‐to‐cell spread. As such, the intracellular positioning of pathogen‐containing vacuoles represents a fundamental measure of infection progression. Here, we describe a fluorescence microscopy‐based method to quantitatively assess bacterial intracellular positioning, using Salmonella enterica serovar Typhimurium infection of epithelial cells as a model. This experimental approach can be modified to study infection in diverse host cell types, and with a broad array of pathogens. The system can also be adapted to examine the kinetics of infection, identify secreted virulence factors that mediate host trafficking, investigate host factors that are targeted by the pathogen for trafficking, and assess functional domains within a virulence factor responsible for mediating the phenotype. Collectively, these tools can provide fundamental insight into the pathogenesis of a diverse array of intracellular bacterial pathogens, and new host factors that are hijacked to mediate infection. © 2024 The Authors. Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Culture and preparation of host cells

Alternate Protocol: Culture and preparation of host cells to assess host factor contribution to bacterial positioning

Basic Protocol 2: Infection of epithelial cells with S. Typhimurium

Basic Protocol 3: Fluorescence staining for analysis of bacterial positioning

Basic Protocol 4: Fluorescence microscopy analysis of bacterial positioning
Mitochondrial dysfunction induced by HIF‐1α under hypoxia contributes to the development of gastric mucosal lesions
Authors: Xiao Yuelin , Liu Xianzhi , Xie Kaiduan , Luo Jiajie , Zhang Yiwang , Huang Xiaoli , Luo Jinni , Tan Siwei
Published: April 2024

Introduction

Hypoxia is an important characteristic of gastric mucosal diseases, and hypoxia‐inducible factor‐1α (HIF‐1α) contributes to microenvironment disturbance and metabolic spectrum abnormalities. However, the underlying mechanism of HIF‐1α and its association with mitochondrial dysfunction in gastric mucosal lesions under hypoxia have not been fully clarified.

Objectives

To evaluate the effects of hypoxia‐induced HIF‐1α on the development of gastric mucosal lesions.

Methods

Portal hypertensive gastropathy (PHG) and gastric cancer (GC) were selected as representative diseases of benign and malignant gastric lesions, respectively. Gastric tissues from patients diagnosed with the above diseases were collected. Portal hypertension (PHT)‐induced mouse models in METTL3 mutant or NLRP3‐deficient littermates were established, and nude mouse gastric graft tumour models with relevant inhibitors were generated. The mechanisms underlying hypoxic condition, mitochondrial dysfunction and metabolic alterations in gastric mucosal lesions were further analysed.

Results

HIF‐1α, which can mediate mitochondrial dysfunction via upregulation of METTL3/IGF2BP3‐dependent dynamin‐related protein 1 (Drp1) N6‐methyladenosine modification to increase mitochondrial reactive oxygen species (mtROS) production, was elevated under hypoxic conditions in human and mouse portal hypertensive gastric mucosa and GC tissues. While blocking HIF‐1α with PX‐478, inhibiting Drp1‐dependent mitochondrial fission via mitochondrial division inhibitor 1 (Mdivi‐1) treatment or METTL3 mutation alleviated this process. Furthermore, HIF‐1α influenced energy metabolism by enhancing glycolysis via lactate dehydrogenase A. In addition, HIF‐1α‐induced Drp1‐dependent mitochondrial fission also enhanced glycolysis. Drp1‐dependent mitochondrial fission and enhanced glycolysis were associated with alterations in antioxidant enzyme activity and dysfunction of the mitochondrial electron transport chain, resulting in massive mtROS production, which was needed for activation of NLRP3 inflammasome to aggravate the development of the PHG and GC.

Conclusions

Under hypoxic conditions, HIF‐1α enhances mitochondrial dysfunction via Drp1‐dependent mitochondrial fission and influences the metabolic profile by altering glycolysis to increase mtROS production, which can trigger NLRP3 inflammasome activation and mucosal microenvironment alterations to contribute to the development of benign and malignant gastric mucosal lesions.
Direct Synthesis of Layer‐Tunable and Transfer‐Free Graphene on Device‐Compatible Substrates Using Ion Implantation Toward Versatile Applications
Authors: Wang Bingkun , Jiang Jun , Baldwin Kevin , Wu Huijuan , Zheng Li , Gong Mingming , Ju Xuehai , Wang Gang , Ye Caichao , Wang Yongqiang
Published: April 2024

Direct synthesis of layer‐tunable and transfer‐free graphene on technologically important substrates is highly valued for various electronics and device applications. State of the art in the field is currently a two‐step process: a high‐quality graphene layer synthesis on metal substrate through chemical vapor deposition (CVD) followed by delicate layer transfer onto device‐relevant substrates. Here, we report a novel synthesis approach combining ion implantation for a precise graphene layer control and dual‐metal smart Janus substrate for a diffusion‐limiting graphene formation to directly synthesize large area, high quality, and layer‐tunable graphene films on arbitrary substrates without the post‐synthesis layer transfer process. Carbon (C) ion implantation was performed on Cu–Ni film deposited on a variety of device‐relevant substrates. A well‐controlled number of layers of graphene, primarily monolayer and bilayer, is precisely controlled by the equivalent fluence of the implanted C‐atoms (1 monolayer ~4 × 1015 C‐atoms/cm2). Upon thermal annealing to promote Cu‐Ni alloying, the pre‐implanted C‐atoms in the Ni layer are pushed toward the Ni/substrate interface by the top Cu layer due to the poor C‐solubility in Cu. As a result, the expelled C‐atoms precipitate into a graphene structure at the interface facilitated by the Cu‐like alloy catalysis. After removing the alloyed Cu‐like surface layer, the layer‐tunable graphene on the desired substrate is directly realized. The layer‐selectivity, high quality, and uniformity of the graphene films are not only confirmed with detailed characterizations using a suite of surface analysis techniques but more importantly are successfully demonstrated by the excellent properties and performance of several devices directly fabricated from these graphene films. Molecular dynamics (MD) simulations using the reactive force field (ReaxFF) were performed to elucidate the graphene formation mechanisms in this novel synthesis approach. With the wide use of ion implantation technology in the microelectronics industry, this novel graphene synthesis approach with precise layer‐tunability and transfer‐free processing has the promise to advance efficient graphene‐device manufacturing and expedite their versatile applications in many fields.
Explainable artificial intelligence for feature selection in network traffic classification: A comparative study
Authors: Khani Pouya , Moeinaddini Elham , Abnavi Narges Dehghan , Shahraki Amin
Published: April 2024

Over the past decade, there has been a growing surge of interest in leveraging artificial intelligence and machine learning models to address real‐world challenges within the field of telecommunications and networking. Among these challenges, network traffic classification has consistently remained a key focal point within the community. The emergence of new paradigms such as internet of things has added complexity to this challenge, owing to the diverse array of traffic classes it introduces. This complexity is further compounded when dealing with encrypted traffic data. In the context of this paper, we employ explainable artificial intelligence (XAI) techniques to offer insightful explanations for the task of classifying encrypted network traffic. Our approach involves presenting a ranked list of the model's input features, organized based on their significance in influencing the classifier's predictions. These ranked lists shed light on the underlying functionality of the encrypted traffic classification model, enabling users to discern which features hold greater importance in shaping the model's output by harnessing the insights provided by XAI approaches. Moreover, we carry out a quantitative assessment and comparison of the results generated by these XAI methods and outputs of three other conventional, widely adopted feature selection approaches, utilizing them as feature selection techniques when applied to a convolutional neural network for classifying data from the CIC‐Darknet2020 and CIC‐IDS2017 datasets. The results show that XAI techniques have high performance in feature selection for network traffic classification.
Berry beverages: From bioactives to antidiabetes properties and beverage processing technology
Authors: Yin Shipeng , Niu Liqiong , Zhang Jian , Yang Wei , Liu Yuanfa
Published: April 2024

Beverages with nutritional functional properties constitute one of the fastest‐growing segments in the food industry. Beverages produced with berries as raw materials, owing to their richness in various beneficial substances (such as fiber, vitamins, minerals, and bioactive phytochemicals), have emerged as integral components of nutritional functional beverages. In this review, we summarize the bioactive polyphenols present in berry beverages and discuss the potential properties of berries from an antidiabetic perspective. The application and impact of new technologies in the processing and production of berry beverages are also explored. Additionally, the review addresses the challenges and prospects faced by industrial development in berry beverage production. Our objective is to provide valuable information for food researchers and the berry beverage production industry, facilitating the production of highly nutritious drinks that appeal to consumers.
Photoelectrocatalysis for Hydrogen Evolution Ventures into the World of Organic Synthesis
Authors: Sportelli Giuseppe , Marchi Miriam , Fornasiero Paolo , Filippini Giacomo , Franco Federico , Melchionna Michele
Published: April 2024

The use of light as a catalytic prompt for the synthesis of industrial relevant compounds is widely explored in the past years, with a special consideration over the hydrogen evolution reaction (HER). However, semiconductors for heterogeneous photocatalysis suffer from fast charge recombination and, consequently, low solar‐to‐hydrogen efficiency. These drawbacks can be mitigated by coupling photocatalysts with an external circuit that can physically separate the photogenerated charge carriers (electrons and holes). For this reason, photoelectrochemical (PEC) production of hydrogen is under the spotlight as promising green and sustainable technique and widely investigated in numerous publications. However, considering that a significant fraction of the hydrogen produced is used for reduction processes, the development of PEC devices for direct in situ hydrogenation can address the challenges associated with hydrogen storage and distribution. This Perspective aims at highlighting the fundamental aspects of HER from PEC systems, and how these can be harnessed toward the implementation of suitable settings for the hydrogenation of organic compounds of industrial value.
Managerial control or feedback provision: How perceptions of algorithmic HR systems shape employee motivation, behavior, and well‐being
Authors: Edwards Martin R. , Zubielevitch Elena , Okimoto Tyler , Parker Stacey , Anseel Frederik
Published: April 2024

Algorithmic HR systems are becoming a more prevalent interface between organizations and employees. Yet little research has examined how automated HR processes impact employee motivation. In a three‐wave study (NTime1 = 401; NTime2 = 379; NTime3 = 303), we investigated the motivational effects of HR systems that automatically capture—and make decisions based on—employee performance, and whether these effects depend on employee attributions regarding the organization's intended use of its automated HR metric system. Additionally, we test whether these motivational states affect employee task prioritization and emotional exhaustion. Results show that employees whose organizations use algorithmic HR systems, and who also attribute managerial control as intent to that system, experience higher levels of extrinsic motivation at work. This, in turn, predicts greater prioritization of metricized tasks and de‐prioritization of non‐metricized tasks. Conversely, employees who believe the purpose of algorithmic HR systems is to provide them with constructive feedback are more likely to experience intrinsic motivation, leading to reduced feelings of emotional exhaustion, greater prioritization of metricized tasks, but reduced non‐metricized behavior de‐prioritization. These results illustrate the critical importance of employee sensemaking around algorithmic HR systems as a precursor to the impact of such systems on employee motivation, behavior, and well‐being.
Study of the enhancement in the performance of a hybrid flat plate solar collector using water and air as working fluids
Authors: Kutafa Shams Kamil , Muhammed Al‐Saiydee Mahmmod A.
Published: April 2024

A hybrid flat solar collector was manufactured from basic materials to combine the effects of both water and air solar heaters. The reason is to increase the amount of heat delivered to water by doubling the heat sources, one from the direct beam of sun and the other from the hot air delivered by the air solar heater. In addition, the flow of water inside the solar heater is made in a thin layer so that much heat can be gained by water per unit time. The outlet hot air of the solar air heater enters air ducts that pass through the solar water heater. With a constant water flowrate of 0.0167 kg/s, three different air velocities (1.7, 2.1, and 2.4 m/s) were applied to determine the optimum air velocity that results in the maximum outlet water temperature and the maximum removal factor FR for the solar water heater. The experiment was run from 10:00 a.m. to 2:00 p.m. every day during June 2023 and the data was recorded every 15 min. The data obtained from the experiment showed that the lowest air speed (1.7 m/s) results in the highest outlet water temperature (63°C) and heat removal factor FR (0.74).
Pharmacological treatment of ectopic pregnancy: Accuracy, safety and cost‐effectiveness of day 1–7 β‐hCG measurements
Authors: Dayan‐Schwartz Adi , Abd Elgani Suzan , Abdul‐Ghani Tamam , Kogan Liron , Reiss Ari , Tal Alon
Published: April 2024

Objective

The aim of the present study was to compare accuracy, safety and cost‐effectiveness of three β‐hCG measurements protocols, applied in managing ectopic pregnancies (EP) with methotrexate (MTX): (1) day 1 to 7 β‐hCG levels, (2) day 1 to 4 β‐hCG levels and (3) day 4 to 7 β‐hCG levels.

Methods

Cost‐minimization analysis (CMA) based on a retrospective study of patients treated with single‐dose MTX for EP, was evaluated at a single institution between January 2001 to May 2021. Successful MTX treatment was defined as no surgical intervention. We evaluated safety by analyzing cases of day 4 interventions and cases of inconsistency between the different protocols. Predicting accuracy was assessed by the area under the receiver operating characteristic (AUC) curve.

Results

A total of 229 patients with single dose MTX treatment were included. Overall, 184 (80.3%) patients were treated successfully with a single dose of MTX. For days 1 and 7 the optimal cutoff point was 7% reduction in β‐hCG levels with sensitivity, specificity and PPV of 76.6% (69.9–82.5, 95% CI), 75.5% (60.5–87.1, 95% CI) and 92.8% (88.4–95.6, 95% CI), respectively. There was no significant difference between the protocols' AUC. None of the patients had any change of management during their day 4 visit in our 20 years of records. The cost for each visit day (day 4 and 7) was calculated with a total cost of 251 USD per patient.

Conclusion

Patients treated with MTX for EP, measurement of day 1 and day 7 β‐hCG serum levels has a cost minimization advantage and is not inferior to the traditional protocol for predictive accuracy and safety.
Retrospective consecutive controlled case series of outcomes for functional analyses of severe destructive behavior
Authors: Weber Jessie K. , Brown Katherine R. , Retzlaff Billie J. , Hurd Alyssa M. , Anderson Heather J. , Smallwood Kendra
Published: April 2024

Functional analysis methods allow clinicians to determine the variable(s) that maintain destructive behavior. Previous reviews of functional analysis outcomes have included large samples of published and unpublished data sets (i.e., clinical samples). The purpose of this review was to conduct a large retrospective consecutive controlled case series of clinical functional analyses. We sought to identify the prevalence of differentiation, procedural modifications for undifferentiated and differentiated cases, and identified function(s) of destructive behavior. In addition, we extended the existing literature by determining whether functional analysis differentiation and function varied when single or multiple behavior topographies were consequated in the functional analysis. We discuss our findings considering previously published functional analysis reviews, provide avenues for future research, and offer suggestions for clinical practice.