bluuebunny/crossref_metadata_2025 huggingface dataset:
3d-metal macrocyclic complexes containing porphyrazine/ perfluoroporphyrazine and fluoro ligands: Structural and thermodynamic parameters according to the various DFT model chemistries
Authors: Mikhailov Oleg V. , Chachkov Denis V.
Published: August 2024

By using three independent of density functional theory (DFT) model chemistries with functionals B3PW91, M06 and OPBE, and the TZVP basis set, combining the D3 version of Grimme’s dispersion with the original D3 damping function, the molecular structures of three types of 3[Formula: see text] element (M) macrocyclic coordination compounds — homoligand with porphyrazine (H2L1), heteroligand with porphyrazine and two axially oriented fluoro ligands and heteroligand with perfluoroporphyrazine (H2L2) and two axially oriented fluoro ligands having [ML1], [ML1(F)2] and [ML2(F)2] compositions, respectively, were calculated. The values of the most important bond lengths, bond and non-bond angles in the resulting metal complexes, and NBO analysis data are presented. It was noted that almost each of these complexes contains a coplanar MN4 chelate unit and a group of N4 atoms, as well as coplanar 5- and 6-membered rings; moreover, both of them are pairwise identical to each other in terms of the sums of bond angles (540[Formula: see text] and 720[Formula: see text], respectively) and their assortments. Bond angles formed by M atoms and two fluorine atoms are 180[Formula: see text]; bond angles formed by fluorine, M and nitrogen atoms are 90[Formula: see text]. NBO analysis of all the above 3[Formula: see text]-metal chelates was carried out, and based on the data, a high degree of delocalization of the electron density in these coordination compounds was stated. The values of the standard enthalpy [Formula: see text], entropy [Formula: see text] and Gibbs energy [Formula: see text] of formation of these compounds were also calculated. Particular attention was paid to the fact that according to these data, for the ([ML1]) and ([ML1(F)2]) complexes the values of [Formula: see text] and [Formula: see text] are positive, whereas for ([ML2(F)2]) complexes they are negative, and in the series [ML1] – [ML1(F)2] – [ML2(F)2] there is an increase in the thermodynamic stability of the complexes, which is undoubtedly due to the presence of peripheral fluorine substituents in the [ML2(F)2] structure. There was also good agreement between similar parameters calculated by different DFT methods, both qualitatively and quantitatively.
Method for Predicting the Oncogenicity of Mutant Proteins Using the Example of p53 Protein
Authors: Koshlan T. V. , Kulikov K. G.
Published: August 2024

This paper presents computational methods for separating oncogenic mutations from neutral mutations of the p53 protein using mathematical processing of the following calculated values for each sample: [Formula: see text], machine learning methods were used to determine the main physical quantities for predicting experimental values [Urea]50%, Kd, [Formula: see text], which determine the stability of mutant monomers of the p53 protein in various denatured alcohol concentrations and when bound to the p53-Bcl-Xl biocomplex, as well as RNA expression; machine learning methods are presented to determine key calculated quantities and dependencies, which will thus help predict experimental results. The description of the software package that implements the presented algorithm is given on the website https://binomlabs.com/.
A generalization of the cozero-divisor graph of a commutative ring
Authors: Farshadifar F.
Published: August 2024

Let [Formula: see text] be a commutative ring with identity and [Formula: see text] be an ideal of [Formula: see text]. The zero-divisor graph of [Formula: see text] with respect to [Formula: see text], denoted by [Formula: see text], is the graph whose vertices are the set [Formula: see text] with distinct vertices [Formula: see text] and [Formula: see text] are adjacent if and only if [Formula: see text]. The cozero-divisor graph [Formula: see text] of [Formula: see text] is the graph whose vertices are precisely the non-zero, non-unit elements of [Formula: see text] and two distinct vertices [Formula: see text] and [Formula: see text] are adjacent if and only if [Formula: see text] and [Formula: see text]. In this paper, we introduced and investigated a new generalization of the cozero-divisor graph [Formula: see text] of [Formula: see text] denoted by [Formula: see text]. In fact, [Formula: see text] is a dual notion of [Formula: see text].
Néel Vector Auto-Oscillations and Reorientations Induced by Spin-Polarized Electric Currents in Antiferromagnetic Mn2Au Nanolayer
Authors: Poletaeva Alla M. , Nikitchenko Andrei I. , Pertsev Nikolay A.
Published: August 2024

The electrical excitation of spin dynamics in antiferromagnets is important for the development of high-speed spintronic devices with a low power consumption. Here, we present a theoretical study of the spin dynamics generated in the Ni/Cu/Mn2Au/Cu/Ni nanostructure by a perpendicular-to-plane electric current. Our investigation includes atomistic simulations of spin reorientations in a few monolayer antiferromagnetic Mn2Au film and numerical calculations of nonequilibrium spin accumulation in the nanostructure comprising ferromagnetic Ni polarizers with antiparallel magnetizations. This combined approach enables us to quantify the dynamics of Mn magnetic moments induced by the spin-transfer torque created by the spin-polarized charge flow. The calculations show that the direct electric current with the density exceeding some temperature-dependent threshold value gives rise to steady-state auto-oscillations of the Néel vector in the [Formula: see text]-oriented Mn2Au nanolayer. As the precession of Mn magnetic moments occurs around an out-of-plane direction strongly deflected from their initial in-plane orientations, the emergence of auto-oscillations should be regarded as the realization of a dynamic spin reorientation transition in the antiferromagnetic crystal. Remarkably, the precession frequency rises with increasing current density J and exceeds 1[Formula: see text]THz at [Formula: see text][Formula: see text]A[Formula: see text]m[Formula: see text], which makes the described antiferromagnetic spin transfer nano-oscillator attractive for device applications. Furthermore, our simulations demonstrate that a picosecond current pulse injected into the Ni/Cu/Mn2Au/Cu/Ni nanostructure can induce a precessional switching of the Néel vector. Depending on the current density and pulse duration, the Néel vector rotates by either 90° or 180° and attains stable orientation along the corresponding [Formula: see text] easy axis in the plane of the Mn2Au nanolayer. This feature shows that the Ni/Cu/Mn2Au/Cu/Ni nanostructure could be used as a nonvolatile memory cell with the electrical writing and readout.
Charting a Decade of Change: Achievements and Challenges of the Belt and Road Initiative at Ten
Authors: Turker Hasim
Published: August 2024

This paper offers an overview of the size, progress, and impact of the Belt and Road Initiative, based on a relatively comprehensive examination of relevant literature, policy documents, and academic essays to dissect various aspects of mega-project. It delves into the theoretical foundations that underpin the initiative, including theses on economic integration and Beijing’s use of soft power, explores the role of China’s grand strategy in shaping the Belt and Road Initiative, emphasizing the dual objectives of securing sustained domestic growth and expanding Beijing’s global influence. Aimed at advancing both geopolitical and geoeconomic interests, the Belt and Road Initiative is expected to play a larger role in regional infrastructure connectivity and global economic transformation.
In Silico ADME, Molecular Targets, Docking and Molecular Dynamics Simulation of Key Phytoconstituents of Lobelia inflata
Authors: Ajayi Iseoluwa Isaac , Fatoki Toluwase Hezekiah , Alonge Ayodele Sunday , Balogun Tosin Christianah , Nwagwe Onyinyechi Ruth , Moge Goodness Mayokun , Shityakov Sergey
Published: August 2024

Lobelia inflata is a remarkable member of the Lobelia family, and it possesses diverse therapeutic properties such as anticancer, anti-neurodegenerative and antimicrobial effects. This study aimed to computationally explore the pharmacological potential of L. inflata phytochemicals. The methods used are pharmacokinetic predictions, target predictions, gene network analysis, molecular docking and molecular dynamics (MD) simulation. The findings revealed that all phytoconstituents have blood-brain barrier (BBB) permeability and high gastrointestinal absorption (GIA). Synaptic vesicular amine transporter 2 (VMAT2) and ceramide transfer protein (CERT) emerged as key human molecular targets of these phytoconstituents. The binding affinity of lobelanidine and norlobelanine for CERT was −9.027 kcal ⋅ mol[Formula: see text] and −7.537 kcal ⋅ mol[Formula: see text] respectively, while (+)-lobinaline and lobeline have binding affinity of −6.897 kcal ⋅ mol[Formula: see text] and −6.724 kcal ⋅ mol[Formula: see text],[Formula: see text] respectively for VMAT2. MD simulation and molecular mechanics/generalized Born surface area (MMGBSA) calculations highlighted the stability and energetically favorable nature of the lobelanidine-VMAT2 and Lobelanidine-CERT complexes. This study underscores the potential of L. inflata in modulating CERT and VMAT2 targets in cancer and neurodegenerative diseases, respectively. There is a need for further validation of these results through additional research endeavors.
CLASSROOM VIGNETTES
Authors: Walker Henry M.
Published: August 2024

A 'Hearing Aid' Experience Report: Implications for Software Development, Ethics, Documentation, Teaching
Improving Image Aesthetic Assessment via Multiple Image Joint Learning
Authors: Shi Tengfei , Chen Chenglizhao , Wu Zhenyu , Hao Aimin , Fang Yuming
Published: August 2024

Image Aesthetic Assessment (IAA) is an emerging paradigm that predicts aesthetic score as the popular aesthetic taste for an image. Previous IAA approaches take a single image as input to predict the aesthetic score of the image. However, we discover that most existing IAA methods fail dramatically to predict the images with a large variance of aesthetic voting distribution. Motivated by the practice that people consider similar experiences to improve the consistence of the voting result, we present a novel Multiple Image joint Learning Network (MILNet) to mimic this natural process. Our novelty is mainly three-fold: (a) Semantic-based retrieval method that constructs aesthetic similarity (the similarity of aesthetic attribution) to select reference images; (b) Graph network reasoning that initializes and updates the weight of intrinsic relationships among multiple images; (c) Adaptive Earth Mover’s Distance (AdaEMD) loss function that adjusts weight for easy and hard instances to mitigate unbalanced distribution of aesthetic datasets. Our evaluation with the benchmark AVA and TAD datasets demonstrates that the proposed MILNet outperforms state-of-the-art IAA methods. The code is available at
https://github.com/flyingbird93/MILNet
.
Fit for Forensics: Taxonomy and Common Model for Forensic Analysis of Fitness Trackers
Authors: Hammer Andreas , Geus Julian , Nicolai Florian , Schütz Philip , Fein Christofer , Freiling Felix
Published: August 2024

Fitness trackers, smart watches, wearables and everything in between have evolved from being highly specialized sports technology and cyber gadgets of early adopters into being similarly ubiquitous devices like smartphones. Unsurprisingly, the data collected by these devices has entered the scope of forensic investigations, providing user-centered and extensive measurements that may prove very valuable as complementary or perhaps even essential evidence in criminal cases. While there exists a body of work focused on the analysis of data from individual devices, the area still appears fragmented. To counter this, we provide a definition and taxonomy of fitness trackers and integrate existing work into a universal model for forensic analysis of such devices that also takes legal requirements into account.
MMICT: Boosting Multi-Modal Fine-Tuning with In-Context Examples
Authors: Chen Tao , Zhang Enwei , Gao Yuting , Li Ke , Sun Xing , Zhang Yan , Li Hui , Ji Rongrong
Published: August 2024

Although In-Context Learning (ICL) brings remarkable performance gains to Large Language Models (LLMs), the improvements remain lower than fine-tuning on downstream tasks. This paper introduces Multi-Modal In-Context Tuning (MMICT), a novel multi-modal fine-tuning paradigm that boosts multi-modal fine-tuning by fully leveraging the promising ICL capability of multi-modal LLMs (MM-LLMs). We propose the Multi-Modal Hub (M-Hub), a unified module that captures various multi-modal features according to different inputs and objectives. Based on M-Hub, MMICT enables MM-LLMs to learn from in-context visual-guided textual features and subsequently generate outputs conditioned on the textual-guided visual features. Moreover, leveraging the flexibility of M-Hub, we design a variety of in-context demonstrations. Extensive experiments on a diverse range of downstream multi-modal tasks demonstrate that MMICT significantly outperforms traditional fine-tuning strategy and the vanilla ICT method that directly takes the concatenation of all information from different modalities as input. Our implementation is available at: https://github.com/KDEGroup/MMICT.
On NVD Users’ Attitudes, Experiences, Hopes, and Hurdles
Authors: Wunder Julia , Corona Alan , Hammer Andreas , Benenson Zinaida
Published: August 2024

The National Vulnerability Database (NVD) is a major vulnerability database that is free to use for everyone. It provides information about vulnerabilities and further useful resources such as linked advisories and patches. The NVD is often considered as the central source for vulnerability information and as a help to improve the resource-intensive process of vulnerability management. Although the NVD receives much public attention, little is known about its usage in vulnerability management, users’ attitudes toward it and whether they encounter any problems during usage. We explored these questions using a preliminary interview study with seven people, and a follow-up survey with 71 participants. The results show that the NVD is consulted regularly and often aids decision making. Generally, users are positive about the NVD and perceive it as a helpful, clearly structured tool. But users also faced issues: missing or incorrect entries, incomplete descriptions or incomprehensible CVSS ratings. In order to identify the problems origins, we discussed the results with two senior NVD members. Many of the problems can be attributed to higher-level problems such as the CVE List or limited resources. Nevertheless, the NVD is working on improving existing problems.
Requirements for Playbook-Assisted Cyber Incident Response, Reporting and Automation
Authors: Akbari Gurabi Mehdi , Nitz Lasse , Bregar Andrej , Popanda Jan , Siemers Christian , Matzutt Roman , Mandal Avikarsha
Published: August 2024

Cybersecurity playbooks assume an increasingly important role as threat-specific documents for guiding operators in the context of cyber incident response. However, these playbooks are mostly unstructured or semi-structured, which significantly limits their utility when it comes to automating response and reporting steps, complying with cybersecurity directives, or sharing best practices for incident response across organisations. We thus argue that cybersecurity playbooks must transition to interoperable and machine-readable formats from generation, via management and utilisation to cross-organisational sharing. In this work, we identify and structure key requirements based on expert interviews as a first step toward this transition. From these requirements, we derive a framework for further guidance during the transition to structured security playbooks and their utilisation in a tool-assisted fashion. We discuss the implications of our framework and lessons learned before outlining directions for future research.
My Fuzzers Won’t Build: An Empirical Study of Fuzzing Build Failures
Authors: Nourry Olivier , Kashiwa Yutaro , Shang Weiyi , Shu Honglin , Kamei Yasutaka
Published: August 2024

Fuzzing is an automated software testing technique used to find software vulnerabilities that works by sending large amounts of inputs to a software system to trigger bad behaviors. In recent years, the open source software ecosystem has seen a significant increase in the adoption of fuzzing to avoid spreading vulnerabilities throughout the ecosystem. While fuzzing can uncover vulnerabilities, there is currently a lack of knowledge regarding the challenges of conducting fuzzing activities over time. Specifically, fuzzers are very complex tools to set up and build before they can be used.

We set out to empirically find out how challenging is build maintenance in the context of fuzzing. We mine over 1.2 million build logs from Google’s OSS-Fuzz service to investigate fuzzing build failures. We first conduct a quantitative analysis to quantify the prevalence of fuzzing build failures. We then manually investigate 677 failing fuzzing builds logs and establish a taxonomy of 25 root causes of build failures. We finally train a machine learning model to recognize common failure patterns in failing build logs. Our taxonomy can serve as a reference for practitioners conducting fuzzing build maintenance. Our modeling experiment shows the potential of using automation to simplify the process of fuzzing.
Understanding the Determinants of Digital Innovation in California Local Governments: Digital Inequality and Agency Assignment Perspectives
Authors: Kwon Myungjung , Lee Eunmi , Hong Sounman , Chun Soon Ae
Published: August 2024

Many local governments have adopted digital innovations and advanced technologies, including Artificial Intelligence, the Internet of things, and big data to address unprecedented problems, improve the processes and procedures of their services, and enhance citizen engagement. Yet, there are considerable variations in the adoption of digital innovation among local communities, and such variations lead to inequality in access to digital technologies among individuals, households, and other groups of different demographic and socioeconomic levels. Drawing on insights from institutional theory, this study examines whether community wealth, education level, and the presence of an independent IT department matter for a city's level of engagement with digital innovation and technologies. It examines a dataset obtained from the 2023 Local Digital innovation Survey with California city governments. A set of logistic regression analyses provide evidence that community wealth/education and independent IT departments play significant roles in influencing California city governments’ level of engagement with digital innovation and technologies.
Exploring the Role of ChatGPT in Higher Education Institutions: Where does Latin America Stand?
Authors: Rivadeneira Lucia , Bellido de Luna Daina , Fernandez Carla
Published: August 2024

This research examines how stakeholders in higher education institutions in Ecuador, Chile, and Costa Rica are adopting ChatGPT. Unlike existing literature that predominantly focuses on North America, Europe, or Asia, this research shifts the lens to Latin America. Adopting a qualitative approach, the study gathered data through 26 semi-structured interviews with higher education institution decision-makers (9), academic (14), and administrative staff (3), revealing the landscape of ChatGPT adoption and application. The findings show a varied level of ChatGPT adoption across different functions within these institutions, with no apparent contextual differences. While academic staff show a higher level of engagement for enhancing educational and research processes, administrative staff use it to perform day-to-day activities, such as improving writing. The role of ChatGPT in decision-making and transformative policies remains limited. Despite recognising the potential of ChatGPT to enhance education, decision-makers often mention challenges like discerning between human and artificial intelligence-generated content, fostering critical thinking, and addressing student inequalities. Decision-makers agree on the importance of training to tackle these challenges. The study seeks to help develop a strategic agenda for integrating technologies, such as ChatGPT, in Latin American universities.
Misinformation, Disinformation, and Generative AI: Implications for Perception and Policy
Authors: Jaidka Kokil , Chen Tsuhan , Chesterman Simon , Hsu Wynne , Kan Min-Yen , Kankanhalli Mohan , Lee Mong Li , Seres Gyula , Sim Terence , Taeihagh Araz , Tung Anthony , Xiao Xiaokui , Yue Audrey
Published: August 2024

The emergence of generative artificial intelligence (GenAI) has exacerbated the challenges of misinformation, disinformation, and mal-information (MDM) within digital ecosystems. These multi-faceted challenges demand a re-evaluation of the digital information lifecycle and a deep understanding of its social impact. An interdisciplinary strategy integrating insights from technology, social sciences, and policy analysis is crucial to address these issues effectively. This article introduces a three-tiered framework to scrutinize the lifecycle of GenAI-driven content from creation to consumption, emphasizing the consumer perspective. We examine the dynamics of consumer behavior that drive interactions with MDM, pinpoints vulnerabilities in the information dissemination process, and advocates for adaptive, evidence-based policies. Our interdisciplinary methodology aims to bolster information integrity and fortify public trust, equipping digital societies to manage the complexities of GenAI and proactively address the evolving challenges of digital misinformation. We conclude by discussing how GenAI can be leveraged to combat MDM, thereby creating a reflective cycle of technological advancement and mitigation.
Solar Geoengineering: History, Methods, Governance, Prospects
Authors: Parson Edward A. , Keith David W.
Published: August 2024

Solar geoengineering, also called sunlight reflection or solar radiation modification (SRM), is a potential climate response that would cool the Earth's surface and reduce many other climate changes by scattering on order 1% of incoming sunlight back to space. SRM can only imperfectly correct for elevated greenhouse gases, but it might complement other climate responses to reduce risks, while also bringing new risks and new challenges to global governance. As climate alarm and calls for effective near-term action mount, SRM is attracting sharply increased attention and controversy, with many calls for expanded research and governance consultations along with ongoing concerns about risks, misuse, or overreliance. We review SRM's history, methods, potential uses and impacts, and governance needs, prioritizing the approach that is most prominent and promising, stratospheric aerosol injection. We identify several policy-relevant characteristics of SRM interventions and identify four narratives that capture current arguments over how SRM might be developed or used in sociopolitical context to either beneficial or destructive effect, with implications for near-term research, assessment, and governance activity.
A Theoretical Review of Modern Robust Statistics
Authors: Loh Po-Ling
Published: August 2024

Robust statistics is a fairly mature field that dates back to the early 1960s, with many foundational concepts having been developed in the ensuing decades. However, the field has drawn a new surge of attention in the past decade, largely due to a desire to recast robust statistical principles in the context of high-dimensional statistics. In this article, we begin by reviewing some of the central ideas in classical robust statistics. We then discuss the need for new theory in high dimensions, using recent work in high-dimensional M-estimation as an illustrative example. Next, we highlight a variety of interesting recent topics that have drawn a flurry of research activity from both statisticians and theoretical computer scientists, demonstrating the need for further research in robust estimation that embraces new estimation and contamination settings, as well as a greater emphasis on computational tractability in high dimensions.
Crafting 10 Years of Statistics Explanations: Points of Significance
Authors: Altman Naomi , Krzywinski Martin
Published: August 2024

Points of Significance is an ongoing series of short articles about statistics in Nature Methods that started in 2013. Its aim is to provide clear explanations of essential concepts in statistics for a nonspecialist audience. The articles favor heuristic explanations and make extensive use of simulated examples and graphical explanations, while maintaining mathematical rigor. Topics range from basic, but often misunderstood, such as uncertainty and p-values, to relatively advanced, but often neglected, such as the error-in-variables problem and the curse of dimensionality. More recent articles have focused on timely topics such as modeling of epidemics, machine learning, and neural networks. In this article, we discuss the evolution of topics and details behind some of the story arcs, our approach to crafting statistical explanations and narratives, and our use of figures and numerical simulations as props for building understanding.
Cycling Aging in Different State of Charge Windows in Lithium-Ion Batteries with Silicon-Dominant Anodes
Authors: Friedrich S. , Bock M. , Jossen A.
Published: August 2024

Reducing the capacity utilization of silicon-containing anodes and choosing the optimal full-cell voltage window improve the lifetime significantly. In this study, we investigate how different voltage windows affect the aging modes with a common 50% cycling depth. First, the cyclic stability, the anode potentials, and the polarization increase are analyzed for the different voltage windows using 70 wt% microscale silicon anodes and NCA cathodes with a lithium metal reference electrode to investigate the electrode-specific characteristics. Further, the underlying aging modes are quantified in the post-mortem analysis. Finally, the anode thickness increase is quantified using a dilatometer setup for different anode lithiations. In contrast to the literature, the highest voltage window is most beneficial for the lifetime since high anode delithiation potentials and high surface increases are avoided. The anode potential at the end-of-discharge, the charge-averaged full-cell potentials, and the resistance increase are a function of the state of health (SoH). The common underlying main aging mechanism is the loss of lithium inventory, followed by the loss of anode active material. In contrast, the loss of cathode active materials only plays a minor role.
Redox Activity Modulation in Extended Fluorenone-Based Flow Battery Electrolytes with π-π Stacking Effect
Authors: Feng Ruozhu , Zheng Xueyun , Rice Peter S. , Bazak J. David , Hollas Aaron , Shao Yuyan , Liang Yangang , Wang Wei
Published: August 2024

Redox flow battery shows promise for grid-scale energy storage. Aqueous organic redox flow batteries are particularly popular due to their potentially low material cost and safe water-based electrolyte. Commonly, redox active molecules used in this field feature aromatic rings, and increasing π-aromatic conjugation has been a popular strategy to achieve high energy density, high power density, and reduced crossover in new material design. However, this approach can inadvertently hinder redox activity depending on redox mechanism. This study reveals the underlying π-π stacking effect in extended aromatic redox active compounds, where aromatic radical intermediates are involved in the redox process. We report a molecular design strategy to mitigate the negative effect of π-π stacking by altering solvation dynamics and introducing molecular steric hindrance.
Review—Research Progress of Novel Fluorescent Probes with the Structure of Xanthene as Parent Nucleus
Authors: Sun Chunlong , Du Wen , Li Wang , Dong Bin , Wang Baogui , Lin Yanjun , Huang Wenwen , Xia Fangliang , Pan Jun
Published: August 2024

Xanthene dyes are a type of fluorescent dye with a π conjugated system and a unique ring-opening mechanism. Fluorescent probes with xanthene dyes as fluorescent groups have the advantages of high molar extinction coefficient, high fluorescence quantum yield, good stability, and good water solubility, making them suitable for medical imaging and biological imaging diagnosis. Therefore, this article reviews the research progress of xanthene fluorescent probes in recent years in terms of pH value, reactive oxygen species, metal ions, anions, enzymes, thiol derivatives, etc, summarizes their design ideas, detection performance, and applications, and points out the development trend of xanthene fluorescent probes, providing a reference for the subsequent development and utilization of xanthene fluorescent probes.
Multifunctional Characterization and Anticancer Properties of Magnetic Zinc Ferrite Nanoparticles by Modified Ultrasonic Assisted Co-precipitation Method
Authors: Ashok K. , Usha P. , R. Nagaraju , Ramesh T. , Kumar N. Pavan , Sulaiman Ghassan M.
Published: August 2024

Zinc Ferrite (ZnFe2O4) nanoparticles were synthesized successfully via the modified ultrasonic-assisted co-precipitation method. Structural characterization, conducted through X-ray diffraction (XRD) analysis and Rietveld refinement, revealed a single cubic phase with a mixed spinel structure. Fourier transform infrared spectroscopy confirmed the presence of functional groups indicative of the spinel ferrite structure. Morphological analysis using field-emission scanning electron microscopy showcased the nanoparticles’ uniform morphology and size distribution. UV–vis spectra revealed the optical properties, while the Tauc Plot method determined the optical band gap. Electron paramagnetic resonance spectra confirm the symmetric resonance peak with 1254 Oe line width and the Lande g value 2.133. Magnetic hysteresis loops confirm the soft magnetic nature of the nanoparticles with magnetic saturation and coercivity of 39.2 emu gm−1 and 77.5 Oe. The anticancer properties against various cancer cell lines (HeLa, HepG-2 and MCF-7) revealed significant anticancer activity against HepG-2 and HeLa cells compared to MCF-7 cancer cells, and the results were compared with the standard drug cisplatin. A comparative analysis of results among cancer cell lines was conducted and discussed.
Milk Tea–Colored Perovskite Solar Cells Fabricated Through a Multilayer Film Design
Authors: Chen Yu-Hung , Chou Ching-Chuan , Liu Hong-Shi , Lin Chien-Tso , Lin Yu-Pin
Published: August 2024

This study presents the fabrication of perovskite thin-film solar cells (PTSCs) with adjustable colors, achieved through a multilayer film design. The multilayer film, comprising Au and indium-tin-oxide (ITO), functions as an adjusted color reflectance (ACR) multilayer film. When the ITO thickness is varied from 100 to 150 nm, the color of the PTSCs can be adjusted from lighter shades that resemble fresh milk tea to darker tones akin to caramel. The color changes that the ACR multilayer film induces correlate well with its reflectance response. Compared with traditional black-colored PTSCs, the milk tea–colored PTSCs maintain a power conversion efficiency of >12%. This achievement suggests the potential for fabricating PTSCs in various colors and patterns that are suitable for use in furnishings, accessories, and other applications.
Evaluation of Cyclic Fatigue Resistance of Novel Replica‐Like Instruments in Static Test Model
Authors: Aydın Uğur , Özdemir Melih , Çulha Emre , Baştürk Özer Muazzez Naz , Turan Bilal
Published: August 2024

Introduction. The aim of our study is to comparatively analyze the canal cyclic fatigue resistance of widely used rotary file systems, including EndoArt Touch Gold (ETG), Perfect MTF Plus Gold (PPG), Fanta V‐Taper Gold (FVG), and ProTaper Next (PTN). Methods. Stainless steel canals with a 60° angle and a 3‐mm curvature radius were specially prepared. The canals were shaped with each rotary file system and tested for resistance using a cyclic fatigue testing apparatus. The number of fracture cycles (NFC; K file tip separation) was measured. Data were analysed by one‐way ANOVA and post hoc LSD tests. Results. PTN and PPG rotary file systems exhibited the highest NFC. The NFC value for PTN was 589 ± 63, and for PPG, it was 507 ± 51. Conclusion. The results of this study demonstrate that rotary file systems such as PTN and PPG exhibit higher cyclic fatigue resistance. ETG and FVG rotary file systems also possess generally acceptable cyclic fatigue resistance levels.
KIR2DL2/DL3+NKs and Helios+Tregs in Peripheral Blood Predict Nivolumab Response in Patients with Metastatic Renal Cell Cancer
Authors: Santagata Sara , Trotta Anna Maria , D’Alterio Crescenzo , Napolitano Maria , Rea Giuseppina , Di Napoli Marilena , Portella Luigi , Ieranò Caterina , Guardascione Giuseppe , Coppola Elisabetta , Caux Christophe , Dubois Bertrand , Boyle Helen J. , Carles Joan , Rossetti Sabrina , Azzaro Rosa , Feroce Florinda , Perdonà Sisto , Fordellone Mario , Bello Anna Maria , Califano Daniela , Chiodini Paolo , Pignata Sandro , Scala Stefania
Published: August 2024

Purpose:

To identify predictive factors of nivolumab sensitivity, peripheral blood NKs and regulatory T-cell (Treg) were evaluated in patients with metastatic renal cell carcinoma (mRCC) enrolled in the REVOLUTION trial.

Experimental Design:

Fifty-seven mRCCs being treated with nivolumab, as at least second-line of therapy, and 62 healthy donors were longitudinally evaluated (0–1–3–6–12 months) for peripheral NKs and Tregs, phenotype, and function. Multivariable logistic regression was conducted to identify the independent predictors. The 0.632+ internal cross-validation was used to avoid overfitting. The best cutoff value based on a 3-month clinical response was applied to progression-free survival (PFS) and overall survival (OS). Kaplan–Meier curves for PFS and OS were produced.

Results:

At pretreatment, mRCCs displayed high frequency of NKp46+NKs, NKp30+NKs, KIR2DL1+NKs, KIR2DL2/DL3+NKs, and PD1+NKs with reduced NK degranulation as well as high frequency of Tregs, PD1+Tregs, Helios+Tregs, and ENTPD1+Tregs. Responder patients, identified as a clinical response after 3 months of treatment, presented at pretreatment significantly low CD3+, high KIR2DL2/DL3+NKs, high PD1+Tregs, and high Helios+Tregs. Upon multivariate analysis, only KIR2DL2/DL3NKs and Helios+Tregs held as independent predictors of nivolumab responsiveness. The KIR2DL2/DL3+NKs >35.3% identified patients with longer OS, whereas the Helios+Tregs >34.3% displayed significantly longer PFS. After 1-month of nivolumab, responder patients showed low CD3+, high NKs, KIR2DL2/DL3+NKs, and ICOS+Tregs. Among these subpopulations, CD3+ and KIR2DL2/DL3+NKs held as independent predictors of nivolumab efficacy. Low CD3+ (≤71%) was significantly associated with longer PFS, whereas high KIR2DL2/DL3+NKs (>23.3%) were associated with both PFS and OS.

Conclusions:

Pretreatment evaluation of Helios+Tregs/KIR2DL2/DL3+NKs and 1-month posttreatment CD3+/ KIR2DL2/DL3+NKs will predict nivolumab response in mRCCs.
Table S1 from Cancer-Related Fatigue and the Additive Effect of Treatment in the Context of Lymphoma: An Analysis of the Lymphoma Coalition’s 2022 Global Patient Survey
Authors: Kalloger Steve E. , Watson Amanda , Sajkowski Shawn , Warwick Lorna
Published: August 2024

Full factorial of symptom and side-effect frequencies across subtypes.
Figure S4 from Coordinated Targeting of S6K1/2 and AXL Disrupts Pyrimidine Biosynthesis in PTEN-Deficient Glioblastoma
Authors: Behrmann Catherine A. , Ennis Kelli N. , Sarma Pranjal , Wetzel Collin , Clark Nicholas A. , Von Handorf Kate M. , Vallabhapurapu Subrahmanya , Andreani Cristina , Reigle James , Scaglioni Pier Paolo , Meller Jarek , Czyzyk-Krzeska Maria F. , Kendler Ady , Qi Xiaoyang , Sarkaria Jann N. , Medvedovic Mario , Sengupta Soma , Dasgupta Biplab , Plas David R.
Published: August 2024

GSEA, Kinativ
Figure 5 from Coordinated Targeting of S6K1/2 and AXL Disrupts Pyrimidine Biosynthesis in PTEN-Deficient Glioblastoma
Authors: Behrmann Catherine A. , Ennis Kelli N. , Sarma Pranjal , Wetzel Collin , Clark Nicholas A. , Von Handorf Kate M. , Vallabhapurapu Subrahmanya , Andreani Cristina , Reigle James , Scaglioni Pier Paolo , Meller Jarek , Czyzyk-Krzeska Maria F. , Kendler Ady , Qi Xiaoyang , Sarkaria Jann N. , Medvedovic Mario , Sengupta Soma , Dasgupta Biplab , Plas David R.
Published: August 2024

S6K2 and AXL have an effector—regulator relationship. A, GSEA identified an AXL response signature in RNA sequence analysis of sgS6K2 LN229 GBM cells. B and C, sgNT or sgS6K2 (exon 9) GBM U87MG-GFP-Luc (B) or LN229 (C) cells were stimulated with 300 nmol/L Phosphatidylserine (PtdSer) and/or 400 ng/mL Gas6 for 45 minutes as indicated. AXL autophosphorylation of pY702 was increased in the absence of S6K2. D, KiNativ analysis represented as a dendrogram (CORAL kinome tree) in which kinase inhibition in combination-treated shPTEN LN229 cells compared with vehicle is expressed as increased node size, branch intensity, and node intensity. Combination treatment with 10 μmol/L LY-2584702 and 10 μmol/L BMS-777607 for 3 hours specifically targeted S6K1, AXL, and MET. E, Model showing S6K2 as both a signaling effector and a feedback regulator of AXL. F, siPTEN LN229 sgNT or sgS6K2 cells were treated for 3 hours with 10 μmol/L LY-2584702 and/or 10 μmol/L BMS-777607 as indicated. S6K2 genetic deletion increased AXL phosphorylation. Combination of LY-2584702 with BMS-777607 was required to reduce both rpS6 and AXL phosphorylation. G, Mayo59 gliomaspheres were transfected with siNT or independent siS6K2 duplexes prior to treatment with 10 μmol/L LY-2584702 and/or 10 μmol/L BMS-777607 for 3 hours as indicated. Treatment with LY-2584702 reduced rpS6 phosphorylation and S6K2 genetic inactivation resulted in increased AXL, consistent with the requirement for combination with BMS-777607 in reducing GBM growth.
Figure 1 from Coordinated Targeting of S6K1/2 and AXL Disrupts Pyrimidine Biosynthesis in PTEN-Deficient Glioblastoma
Authors: Behrmann Catherine A. , Ennis Kelli N. , Sarma Pranjal , Wetzel Collin , Clark Nicholas A. , Von Handorf Kate M. , Vallabhapurapu Subrahmanya , Andreani Cristina , Reigle James , Scaglioni Pier Paolo , Meller Jarek , Czyzyk-Krzeska Maria F. , Kendler Ady , Qi Xiaoyang , Sarkaria Jann N. , Medvedovic Mario , Sengupta Soma , Dasgupta Biplab , Plas David R.
Published: August 2024

Combination S6K1 and AXL targeting reduces PTEN-deficient glioblastoma tumors in vivo. A, Combination S6K1 and AXL inhibitors, LY-2584702 and BMS-777607, respectively, reduced subcutaneous tumor volumes. Nude mice were implanted with 1 million U87MG cells and then treated twice daily (BID) with inhibitors by oral gavage on a 5 + 2 schedule. Animals were euthanized once tumors measured 2,000 mm3. B, Brain lysates from NSG mice treated with 30 mg/kg of LY-2584702, 30 mg/kg of BMS-777607, a combination of LY + BMS, or DMSO for 3 days BID. Reduced rpS6 phosphorylation was detected in intact brains collected an hour after final dose. C, In a time course of combination treatment, rpS6 phosphorylation was reduced in B6 mouse intact brain lysates as early as 30 minutes after final treatment. LY-2584702 and BMS-777607 reduced rpS6 phosphorylation in the brain, even in the absence of tumor. D, The S6K1 inhibitor, LY-2584702, in combination with the AXL inhibitor, BMS-777607, reduced tumor growth in orthotopically implanted U87MG-GFP-Luciferase cells. Growth of intracranial tumors was determined from bioluminescence imaging before treatment began and again after a month of BID 5 + 2 oral gavage inhibitors (12.5 mg/kg) or vehicle control (n = 5). E, Tumor growth of D shown as the change in luciferase counts from pretreatment to 32 days after treatment initiation. P value = 0.015 (t test). F, Histological staining of phospho-rpS6 (S235/6) of tumor sections from whole excised brains of mice treated with DMSO or LY + BMS combination. The staining intensity of these samples were graded 1–3 in a blinded fashion. Scale bar, 200 μm.
Data from Cancer-Related Fatigue and the Additive Effect of Treatment in the Context of Lymphoma: An Analysis of the Lymphoma Coalition’s 2022 Global Patient Survey
Authors: Kalloger Steve E. , Watson Amanda , Sajkowski Shawn , Warwick Lorna
Published: August 2024

Abstract
Cancer-related fatigue (CRF) continues to be a challenging phenomenon that is often underreported and poorly understood. With etiologies in both disease and treatment manifesting as a symptom and a side effect, respectively, CRF is highly incident and presents a significant clinical problem that impacts survivorship. We conducted a survey to ascertain the patient-reported incidence of symptoms and side effects for people with lymphoma or chronic lymphocytic leukemia. We found that CRF was enhanced in those who received more intense therapies that coincided with more aggressive lymphoma subtypes. These data illuminate an unmet need among patients with lymphoma and provide an opportunity to further refine treatment regimens in order to reduce the burden of CRF in this vulnerable population.
Significance:
CRF is a highly incident phenomenon in lymphoma that can be ascribed to a combination of causes. We have demonstrated substantial variability across various subtypes of lymphoma and have estimated that nearly half of the reported fatigue comes from treatment. Increased screening for and monitoring of fatigue will yield favorable health-related quality of life that will benefit health technology assessment activities and yield improved outcomes for patients.
Pathologic Outcomes and Survival in Patients with Rectal Cancer and Increased Body Mass Index
Authors: Emile Sameh Hany , Dasilva Giovanna , Horesh Nir , Garoufalia Zoe , Gefen Rachel , Zhou Peige , Berho Mariana , Wexner Steven D.
Published: August 2024

Introduction: We assessed the association between increased body mass index (BMI) and rectal cancer outcomes. Methods: We included patients who underwent surgery for stage I-III rectal adenocarcinoma who were divided according to BMI at diagnosis: ideal BMI (18.5–24.9 kg/m2) and increased BMI (≥25 kg/m2). Groups were compared using univariate association analyses relative to baseline characteristics, pathologic outcomes, overall survival (OS), and disease-free survival (DFS). Main outcome measures involved circumferential resection margin (CRM), pathologic TNM stage, total mesorectal incision (TME) grade, OS, and DFS. Results: 243 patients (64.6% male; median age 59 years) with a median BMI of 26.3 kg/m2 were included. 62.1% had BMI ≥25 kg/m2. Increased BMI patients had similar proportions of males (66.9% vs. 60.9%; p = 0.407) and comorbidities (ASA III: 47% vs. 37.4%; p = 0.24) to ideal BMI patients. There were no significant differences in cN1-2 stage (p = 0.279) or positive CRM (p = 0.062) rates. The groups had similar complete/near-complete TME, pathologic TN stage, and survival rates. Pathologic and survival outcomes were also similar with a BMI cutoff of 30. Conclusions: There was a trend toward more nodal involvement in preoperative assessment and less CRM involvement in the final pathology of patients with increased BMI. Complete/near-complete TME and survival rates were comparable between the groups.
Sonerila dongii (tribe Sonerileae, Melastomataceae), a new species from Lam Dong province, South Vietnam
Authors: NGUYEN DANH DUC , NGUYEN VAN CANH , LIN CHE WEI
Published: August 2024

Sonerila dongii, a new species from Lam Dong province in South Vietnam, is described and illustrated here. The morphological characteristics of this new species distinguish it from any previously documented species in the Indochina region because it lacks a tuber and likely adapts to periodic drought seasons by utilizing its fleshy stems. Sonerila dongii bears a resemblance to S. peninsularis with its variegated, ovate foliage, and stem and inflorescence covered with minutely brown glandular trichomes. However, the new species differs from S. peninsularis in lacking an underground tuber (vs. tuber present), stem terete (vs. quadrangular) and branched (vs. usually unbranched), petals glabrous (vs. abaxial surface with long stipitate glandular trichomes) and longer anthers 4.5–5 mm long (vs. 1.5–2.5 mm). The conservation status of Sonerila dongii is assessed as data deficient (DD), according to the IUCN Red List Categories and Criteria.
Allium zhouquense (Amaryllidaceae)—a new species from Gansu, China
Authors: BAI ZENGFU , ZHANG ZHIHUA , CHEN XUELIN , ZHANG JI
Published: August 2024

Allium zhouquense Z.F.Bai & Xue L.Chen (Amaryllidaceae) is described and illustrated from Gansu Province, China. It resembles both A. plurifoliatum and A. paepalanthoides, but it is identified by its 2-angled scape; by its shortly strigose leaf edge, leaf sheaths, and midvein; by its pedicels 6–8 times the length of perianth; and by its stamens with a pair of teeth on both its outer and inner filaments.
The cicada (Hemiptera: Cicadidae) fauna of the Lesser Antilles sensu lato with the description of two new species, two new combinations, and a key to species
Authors: SANBORN ALLEN F.
Published: August 2024

A summary and the known distributions of the cicadas of the Lesser Antilles sensu lato are provided. Fidicina guadeloupensis n. sp. from Guadeloupe and Herrera castaneanigricula n. sp. from Martinique are described as new. Carineta acclivis Sanborn, 2017b and Carineta martiniquensis Davis, 1934 are reassigned to become Herrera acclivis (Sanborn, 2017b) n. comb. and Herrera martiniquensis (Davis, 1934) n. comb. A total of 23 species, 13 genera, four tribes and two subfamilies are known to inhabit the various island chains with seven species being endemic to a single island. The majority (15 species) is found in the Republic of Trinidad & Tobago. More than half of the genera (eight) and species (12) represented in the Lesser Antilles are members of the Fidicinini Distant, 1905a. Herrera Distant, 1905b is the most diverse genus with five species recorded from the region, Proarna Stål, 1864 is also well represented with four species. Proarna hilaris (Germar, 1834) is the species with the greatest range expanding from the Virgin Islands to Trinidad in the Lesser Antilles. Finally, a key to the known cicada species of the Lesser Antilles is provided.
Description of Armadillidium boalense sp. nov. from northern Spain, with remarks and a key of the genus in the Iberian Peninsula and the Balearic Islands (Isopoda: Oniscidea: Armadillidiidae)
Authors: CIFUENTES JULIO , ROBLA JAIRO , GARCIA LLUC
Published: August 2024

A new woodlice species of the genus Armadillidium Brandt, 1831 is described and illustrated from Asturias (northern Iberian Peninsula). Armadillidium boalense sp. nov. is ascribed to the ‘pictum group’ and is characterized by its eusphaeric conglobation, duplocarinate-type cephalon and strong sexual differentiation of the seventh pair of male pereopods. Furthermore, its diagnostic characteristics and its affinities with the rest of species of this group are discussed. The main diagnostic characteristics of a sometimes-questioned species Armadillidium galiciense Schmölzer, 1955 are also commented and illustrated. To facilitate the separation of the current known Iberian species of Armadillidium, an updated identification key is provided, and some new distributional and ecological data of other Armadillidium species of the Asturian region are also included.
Pacifimusotima Ko & Solis, new genus and species of the Musotiminae (Lepidoptera: Crambidae) from the Federated States of Micronesia, including two newly combined species
Authors: KO JAE-HO , SOLIS M. ALMA , LEES DAVID C. , DASARI AUSTIN ALBERT
Published: August 2024

Pacifimusotima kosrena Ko & Solis, gen. nov. & sp. nov., is described from the Federated States of Micronesia (FSM). We newly combine Parthenodes eugethes (Tams, 1935), comb. nov. and Parthenodes rectangulalis (Kenrick, 1907), comb. nov. in Pacifimusotima Ko & Solis. Illustrations of adults, genitalia, and brief remarks on related species are provided.