bluuebunny/crossref_metadata_2025 huggingface dataset:
Friedel–Crafts Reactivity with Sulfondiimidoyl Fluorides for the Synthesis of Heteroaryl Sulfondiimines
Authors: Wei Ming‐Kai , Zhang Ze‐Xin , Ding Mingyan , Willis Michael C.
Published: October 2024

Sulfur functional groups are ubiquitous in molecules used in the pharmaceutical and agrochemical industries, and within these collections sulfones hold a prominent position. The double aza‐analogues of sulfones, sulfondiimines, offer significant potential in discovery chemistry but to date their applications have been limited by the lack of convenient synthetic routes. The existing methods mainly rely on imination of low‐valent‐sulfur intermediates, or the combination of pre‐formed organometallic reagents and electrophilic S(VI)‐functionalities. Herein, we describe a Friedel–Crafts‐type reaction of sulfondiimidoyl fluorides with (hetero)aryls. This new SuFEx reactivity benefits from broad functional group tolerance, mild reaction conditions, and does not require the use of pre‐formed organometallic reagents. The efficient use of unprotected indoles and pyrroles, as well as furan, thiophene and carbocyclic aromatics, further demonstrates the advantages of these reactions. We show that the reactivity of the sulfondiimidoyl fluorides can be tuned by switching the N‐substituents, allowing an expansion of the range of coupling partners. The utility of the transformation is exemplified by the synthesis of the sulfondiimine analogue of the HIV‐I reverse transcriptase‐inhibitor L‐737,126.
Engineering Trifluoromethyl Groups in Porous Coordination Polymers to Enhance Stability and Regulate Pore Window for Hexane Isomers Separation
Authors: Huang Hengcong , Prasetyo Niko , Kajiwara Takashi , Gu Yifan , Jia Tao , Otake Ken‐ichi , Kitagawa Susumu , Li Fengting
Published: October 2024

Effective separation of hexane (C6) isomers is critical for a variety of industrial applications but conventional distillation methods are energy‐intensive. Adsorptive separations based on porous coordination polymers (PCPs) offer a promising alternative due to their exceptional porosity and tunable properties. However, there is still an urgent need to develop PCPs with high stability and separation performance. This study investigates how substituting a methyl (−CH3) group with a trifluoromethyl (−CF3) group can regulate pores and hydrophobicity in PCPs. This precise adjustment aims to enhance stability and improve the kinetic separation performance of hydrophobic C6 isomers by considering the size and hydrophobicity of the trifluoromethyl group. Two isostructural PCPs with pcu topology, PCP‐CH3 and PCP‐CF3, were synthesized to vary pore diameters and hydrophobicity based on the presence of −CH3 or −CF3 groups. PCP‐CF3 showed greater stability in water compared to PCP‐CH3. While PCP‐CH3 had high adsorption capacities, it lacked selectivity, whereas PCP‐CF3 demonstrated improved selectivity, particularly in excluding dibranched isomers. Dynamic column separation experiments revealed that PCP‐CF3 could selectively adsorb linear and monobranched isomers over dibranched isomers at room temperature. These findings highlight the potential of fluorine‐modified PCPs for efficient isomer separation and underscore the importance of stability improvement strategies.
Model Bias Identification for Bayesian Calibration of Stochastic Digital Twins of Bridges
Authors: Andrés Arcones Daniel , Weiser Martin , Koutsourelakis Phaedon‐Stelios , Unger Jörg F.
Published: October 2024

Simulation‐based digital twins must provide accurate, robust, and reliable digital representations of their physical counterparts. Therefore, quantifying the uncertainty in their predictions plays a key role in making better‐informed decisions that impact the actual system. The update of the simulation model based on data must then be carefully implemented. When applied to complex structures such as bridges, discrepancies between the computational model and the real system appear as model bias, which hinders the trustworthiness of the digital twin and increases its uncertainty. Classical Bayesian updating approaches aimed at inferring the model parameters often fail to compensate for such model bias, leading to overconfident and unreliable predictions. In this paper, two alternative model bias identification approaches are evaluated in the context of their applicability to digital twins of bridges. A modularized version of Kennedy and O'Hagan's approach and another one based on Orthogonal Gaussian Processes are compared with the classical Bayesian inference framework in a set of representative benchmarks. Additionally, two novel extensions are proposed for these models: the inclusion of noise‐aware kernels and the introduction of additional variables not present in the computational model through the bias term. The integration of these approaches into the digital twin corrects the predictions, quantifies their uncertainty, estimates noise from unknown physical sources of error, and provides further insight into the system by including additional pre‐existing information without modifying the computational model.
Kombinierter Einsatz einer PV‐ und KWE‐Anlage bei einem Wohngebäude mit Elektroauto
Authors: Katzenbach Jula , Schäfer Stefan , Burgaß Robert
Published: October 2024

Das Interesse an unabhängiger und nachhaltiger Energieversorgung nimmt in Zeiten konstant steigender Strompreise und zunehmenden Umweltbewusstseins stetig zu. Während Photovoltaikanlagen daher mittlerweile schon fast zur Normalität auf Dachflächen und an Balkongeländern geworden sind, sind Kleinwindenergieanlagen (KWE‐Anlagen) noch verhältnismäßig selten anzutreffen. Und das, obwohl Windkraft über 50 % des in Deutschland generierten „grünen“ Stroms produziert und im Jahresverlauf wesentlich niedrigeren Schwankungen unterliegt als solare Strahlung. Ziel der in diesem Aufsatz vorgestellten Berechnungen war es daher, exemplarisch zu prüfen, ob der kombinierte Einsatz von Photovoltaik‐ und Kleinwindenergieanlagen auf Wohngebäuden eine sowohl energetisch als auch ökonomisch sinnvolle Handlungsoption darstellt. Zudem galt es zu analysieren, welche Bedeutung der Nutzung und Ladung eines Elektrofahrzeugs im Kontext der Anlagenkombination zukommt. Dazu wurden softwarebasierte Ertragsprognosen mit dem Lastprofil eines durchschnittlichen 3‐Personen‐Haushalts verglichen und die daraus resultierende Wirtschaftlichkeit der Anlagenkombination ermittelt.
Constructing High‐Performance Zn‐Iodine Batteries with CuI‐PVP Composite Layer Coated Zn Anodes
Authors: Zhang Rui , Liu Xiangyu , Wu Xiaojing , Guo Tan , Yun Shan , Du Lingyu , Kang Litao
Published: October 2024

Aqueous zinc‐iodine (Zn‐I2) batteries featuring abundant raw materials, inherent safety, excellent cost competitiveness and environmental benignity have been identified as one kind of important electrochemical energy storage devices. However, these batteries always suffer from inferior electrochemical performance, because of dendrite growth and corrosion/passivation of the anodes. Herein, a copper iodide‐polyvinylpyrrolidone (CuI‐PVP) composite layer is proposed to suppress the parasitic reactions and protect the Zn anodes. In this layer, the CuI can spontaneously react with metallic Zn and convert into Cu and Cu5Zn8 (2CuI+Zn→2Cu+ZnI2; 5Cu+8Zn→Cu5Zn8). The highly zincophilic Cu and Cu5Zn8, as heterogeneous seeds, can guide the uniform Zn nucleation and deposition, while alleviating corrosion of the Zn anodes. At the same time, the iodide species releasing from the composite layer can be oxidized and deposited on the cathodes, contributing additional capacity. As a result, the symmetric cell prepared with the CuI‐PVP@Zn anodes demonstrates a long cycling lifetime of 1400 hours at 1 mA cm−2 and 1 mAh cm−2. Under an even higher current density of 5 mA cm−2, the CuI‐PVP@Zn cell can still stably work for more than 660 hours. The practical application of this CuI‐PVP@Zn electrode has been further demonstrated in Zn‐I2 full batteries, which achieve 60 % higher specific capacity than the untreated ones (251.4 vs. 157.1 mAh g−1 after 2800 cycles).
Photobiomodulation improves functional recovery after mild traumatic brain injury
Authors: Stevens Andrew R. , Hadis Mohammed , Thareja Abhinav , Anderson Freya G. , Milward Michael R. , Di Pietro Valentina , Belli Antonio , Palin William , Davies David J. , Ahmed Zubair
Published: October 2024

Mild traumatic brain injury (mTBI) is a common consequence of head injury but there are no recognized interventions to promote recovery of the brain. We previously showed that photobiomodulation (PBM) significantly reduced the number of apoptotic cells in adult rat hippocampal organotypic slice cultures. In this study, we first optimized PBM delivery parameters for use in mTBI, conducting cadaveric studies to calibrate 660 and 810 nm lasers for transcutaneous delivery of PBM to the cortical surface. We then used an in vivo weight drop mTBI model in adult rats and delivered daily optimized doses of 660, 810 nm, or combined 660/810 nm PBM. Functional recovery was assessed using novel object recognition (NOR) and beam balance tests, whilst histology and immunohistochemistry were used to assess the mTBI neuropathology. We found that PBM at 810, 660 nm, or 810/660 nm all significantly improved both NOR and beam balance performance, with 810 nm PBM having the greatest effects. Histology demonstrated no overt structural damage in the brain after mTBI, however, immunohistochemistry using brain sections showed significantly reduced activation of both CD11b+ microglia and glial fibrillary acidic protein (GFAP)+ astrocytes at 3 days post‐injury. Significantly reduced cortical localization of the apoptosis marker, cleaved caspase‐3, and modest reductions in extracellular matrix deposition after PBM treatment, limited to choroid plexus and periventricular areas were also observed. Our results demonstrate that 810 nm PBM optimally improved functional outcomes after mTBI, reduced markers associated with apoptosis and astrocyte/microglial activation, and thus may be useful as a potential regenerative therapy.
Glucose‐based Ionic Liquid Organocatalysts for Asymmetric aza‐Diels‐Alder Reactions
Authors: Komabayashi Mirai , Jopp Stefan
Published: October 2024

Carbohydrate‐based ionic liquids and salts (CHILS) have recently emerged as an uprising sub‐class of ionic liquids. Their starting materials are available in abundant natural resources from plants and fauna. Carbohydrates are not only sustainable; they also exhibit natural chirality. To use this, novel glucosyl imidazolium NTf2 ionic liquids were synthesized and applied as organocatalysts in aza‐Diels‐Alder reactions in this work, where we used aldimines and Danishefsky's diene as substrates. We investigated the structure‐activity relationships of these glucosyl imidazolium NTf2 organocatalysts through several functionalizations on the carbohydrate and the imidazole and compared them with common metal catalysts and ionic liquids. Our organocatalysts improved the yield of the model aza‐Diels‐Alder reaction highly and also had a positive effect on the overall diastereomeric excess.
Extreme learning with projection relational algebraic secured data transmission for big cloud data
Authors: Sakthivel G. , Madhubala P.
Published: October 2024

Cloud Computing (CC) and big data are growing technology in the business. Big data is demonstrated in terms of volume, variety, and velocity. CC is employed for storing, processing, and accessing data. Many cryptographic techniques have been developed to enhance big data security in cloud computing. However, security and privacy are the primary concerns in protecting data, as it is highly sensitive. Yet, it faces the major problems of inefficient performance, increased time consumption, and lack of data confidentiality and integrity. To address this issue, proposed Extreme Learning with Projection Relational Algebraic Secured Data Transmission (ELPRA‐SDT) is introduced to secure data transactions from cloud users to cloud servers with enhanced data confidentiality and reduced time consumption for big cloud data. The proposed ELPRA‐SDT consists of two major processes namely registration and key generation. At first, the user's IP address is registered employing a transitive advanced set relation theory graph model in a cloud server (CS) for retrieving the numerous services. The CS generates private and public keys for each registered user's IP address using the Transitive Operational and Time Synchronized Random Winternitz Key generation model. After, the user sends a request to the CS for acquiring data. The CS validates the requested user based on security policy attributes. Second, the Projection Relational Algebraic Signcryption and Unsigncryption algorithm performs signature verification to ensure secure data access for protecting the data. Results of experiments carried out by using Coburg Intrusion Detection Data Sets‐001 dataset in Java. ELPRA‐SDT method is more efficient and more suitable for providing security and privacy to network traces in the Cloud. The result shows maximum performance with data confidentiality by 10% and data integrity by 13%. In addition, delay is reduced by 32%, and data delivery time and communication complexity is decreased by 28% and 24% to other existing methods.
ESG investing & firm performance: Retrospections of past & reflections of future
Authors: Narula Radhika , Rao Purnima , Kumar Satish , Paltrinieri Andrea
Published: October 2024

The purpose of this research is to investigate the current state of the literature on environmental, social, and governance (ESG) investing, and study the impact of ESG ratings on firm performance. Corporate sustainability has evolved as a concept and is increasingly being integrated with investment analysis. The present study performs a systematic literature review (SLR) using the theory, context, characteristics, and methodology (TCCM) framework to provide valuable insights and research directions in the context of ESG investing. The review is based on 198 articles published from 2010 to 2022 and follows the scientific procedures and rationales for systematic literature reviews (SPAR‐4‐SLR) protocol using the Scopus database. Further, the research also re‐examines the empirical studies based on ESG as a determinant of firm performance using a meta‐analytical approach. The research findings suggest a positive impact of ESG ratings on firm performance. However, an intriguing discovery surfaced when empirical studies were segmented according to the ESG rating methodologies provided by Bloomberg and Thomson Reuters. The purpose of this research is to offer a comprehensive and collective scholarship of the subject by adopting a mixed‐method approach. Further, it provides a conceptual framework, thereby linking the various elements of ESG investing and explaining the channels of transmission of ESG translates into value creation for the shareholders. It encompasses extensive research agendas discussing barriers to ESG implementation, the materiality of ESG practices, informativeness of sustainability reporting, sustainability performance, and sustainable underpinnings.
A 10.7‐μ$$ \upmu $$A 103‐dB DR Hybrid Delta‐Sigma Modulator for Sensing Applications
Authors: Zhang Huizhu , Wu Xinjie , Tang Zhong , Tan Nianxiong , Yu Xiaopeng , Lu Zhenghao
Published: October 2024

This paper reports a low‐power, high dynamic range second‐order delta‐sigma modulator (DSM) for sensing applications. The DSM employs a hybrid CIFF‐B topology, consisting of a continuous‐time first stage and a discrete‐time second stage. The first stage is an OTA‐based RC integrator with inherent anti‐aliasing properties, while the second stage is a switched‐capacitor integrator. Offset and noise in the first stage are mitigated by the chopper‐stabilization technique, while those in the second stage are suppressed through the gain provided by the first stage. Furthermore, the OTA‐sharing technology is utilized in the second stage to realize signal addition before quantization, reducing design complexity. The hybrid DSM prototype is fabricated with a 180‐nm CMOS process and occupies an area of 0.123 mm2. Measurement results show peak SNDR/SNR/SFDR values of 95.8, 97.1, and 102.8 dB, respectively, with a current consumption of 10.7 A from a 1.8‐V single supply. The reported DSM achieves a 103‐dB dynamic range in a 100‐Hz signal bandwidth, corresponding to a Schreier figure‐of‐merit (FoMs) value of 170.2 dB.
Impact of neutron radiation induced defects on the surge current robustness of silicon carbide P‐intrinsic‐N diodes
Authors: Tan Haoshu , Zhang Lin , Li Zhiqiang , Li Jun Tao , Dong Peng
Published: October 2024

Surge current (SC) capability is one of the main aspects of reliability for silicon carbide (SiC) power devices. In this work, the influences of neutron radiation‐induced defects on the SC capability and reliability of SiC P‐intrinsic‐N (PiN) diodes were comprehensively investigated. It was found that the surge capability of the diodes can be deteriorated even under the slightly enhanced formation of carbon‐vacancy‐related Z1/2 and EH6/7 defects introduced by neutron irradiation. Surprisingly, it was found that the forward voltage (VF) decreases with the increased SC and the stress cycles in the irradiated diodes, which is usually found to increase under the SC tests and attributed to the bipolar degradation (BPD). By using technology computer‐aided design simulation and deep‐level transient spectroscopy characterization, it was found that the significant self‐heating during surge stress leads to the annealing effect on the Z1/2 defects through the promoted recombination with the nearest and second neighbor carbon interstitials injected by irradiation, which thus plays a dominant role in the decrease of VF over the BPD.
Assessment of the Depiction of Superficial White Matter Using Ultra‐High‐Resolution Diffusion MRI
Authors: Zhang Fan , Chen Yuqian , Ning Lipeng , Rushmore Jarrett , Liu Qiang , Du Mubai , Hassanzadeh‐Behbahani Shiva , Legarreta Jon Haitz , Yeterian Edward , Makris Nikos , Rathi Yogesh , O'Donnell Lauren J.
Published: October 2024

The superficial white matter (SWM) consists of numerous short‐range association fibers connecting adjacent and nearby gyri and plays an important role in brain function, development, aging, and various neurological disorders. Diffusion MRI (dMRI) tractography is an advanced imaging technique that enables in vivo mapping of the SWM. However, detailed imaging of the small, highly‐curved fibers of the SWM is a challenge for current clinical and research dMRI acquisitions. This work investigates the efficacy of mapping the SWM using in vivo ultra‐high‐resolution dMRI data. We compare the SWM mapping performance from two dMRI acquisitions: a high‐resolution 0.76‐mm isotropic acquisition using the generalized slice‐dithered enhanced resolution (gSlider) protocol and a lower resolution 1.25‐mm isotropic acquisition obtained from the Human Connectome Project Young Adult (HCP‐YA) database. Our results demonstrate significant differences in the cortico‐cortical anatomical connectivity that is depicted by these two acquisitions. We perform a detailed assessment of the anatomical plausibility of these results with respect to the nonhuman primate (macaque) tract‐tracing literature. We find that the high‐resolution gSlider dataset is more successful at depicting a large number of true positive anatomical connections in the SWM. An additional cortical coverage analysis demonstrates significantly higher cortical coverage in the gSlider dataset for SWM streamlines under 40 mm in length. Overall, we conclude that the spatial resolution of the dMRI data is one important factor that can significantly affect the mapping of SWM. Considering the relatively long acquisition time, the application of dMRI tractography for SWM mapping in future work should consider the balance of data acquisition efforts and the efficacy of SWM depiction.
Comprehensive analysis of prognostic and immunological role of basement membrane‐related genes in soft tissue sarcoma
Authors: Nie Guang‐hua , Liu Cheng‐yi , Tian Zhao
Published: October 2024

Background

Soft tissue sarcoma (STS) represents highly multifarious malignant tumors that often occur in adolescents and have a poor prognosis. The basement membrane, as an ancient cellular matrix, was recently proven to play a vital role in developing abundant tumors. The relationship between basement membrane‐related genes and STS remains unknown.

Methods

Consensus clustering was employed to identify subgroups related to differentially expressed basement membrane‐related genes. Cox and least absolute shrinkage and selection operator regression analyses were utilized to construct this novel signature. Then, we established a nomogram and calibration curve, including the risk score and available clinical characteristics. Finally, we carried out functional enrichment analysis and immune microenvironment analysis to investigate enriched pathways and the tumor immune microenvironment related to the novel signature.

Results

A prognostic predictive signature consisting of eight basement membrane‐related genes was established. Kaplan–Meier survival curves demonstrated that the patients in the high‐risk group had a poor prognosis. Independent analysis illustrated that this risk model could be an independent prognostic predictor. We validated the accuracy of our signature in the validation data set. In addition, gene set enrichment analysis and immune microenvironment analysis showed that patients with low‐risk scores were enriched in some pathways associated with immunity. Finally, in vitro experiments showed significantly differential expression levels of these signature genes in STS cells and PSAT1 could promote the malignant behavior of STS.

Conclusions

The novel signature is a promising prognostic predictor for STS. The present study may improve the prognosis and enhance individualized treatment for STS in the future.
Analysis of occlusal clearance of crown preparations in a predoctoral clinical setting
Authors: Bennett Gregory W. , Jarecke Lucas , Wordekemper Luke , Sundine Makena
Published: October 2024

Purpose

This study sought to assess the presence and location of inadequate tooth preparation performed by predoctoral dental students by scanning mounted casts submitted for monolithic zirconia crown fabrication

Methods

An intraoral scanner capable of volumetric measurements of crown preparations was used to analyze 56 crown preparations on mounted stone casts before submission to a lab for crown fabrication. The mounted casts were scanned individually and then a buccal bite was scanned to stitch the models together into virtual occlusion. The distance between the crown preparations and opposing dentition was displayed volumetrically, and the minimum clearance of each preparation was recorded for both the functional and non‐functional cusps. Preparations were evaluated for adequate interocclusal clearance and comparisons were made using a Chi‐square test with α = 0.05 with respect to tooth location, functional versus nonfunctional cusp, and or single versus multi‐unit preparation.

Results

Over 47% of mounted casts with crown preparations analyzed for the study exhibited a lack of occlusal clearance in at least one area. Functional cusps were more often under‐reduced than non‐functional (p < 0.001). No other comparisons were statistically significant.

Conclusions

The present study demonstrates a high percentage of under‐reduced crown preparations in a predoctoral clinic and emphasizes the utility of quality control and analysis via digital scanning of crown preparations prior to crown fabrication.
Dental and dental hygiene students’ perceptions on intraprofessional education
Authors: Henesy Mhairi A. , Henderson Rebecca P. , Gross Erin L. , Shah Anjum , Kearney Rachel C.
Published: October 2024

Purpose

Interprofessional education and intraprofessional learning experiences are fundamental to becoming an efficient member of the healthcare team for dental and dental hygiene students.

The purpose of this study is to determine the attitudes and perceptions of The Ohio State University's dental and dental hygiene students on intraprofessional education and collaboration.

Methods

Dental and dental hygiene students at The Ohio State College of Dentistry were surveyed in this cross‐sectional study about their readiness for intraprofessional learning. The questionnaire was modeled after a study conducted by Brame et al. which focused on assessing students’ readiness for intraprofessional education and determining their perceptions towards the use of intraprofessional education.

Results

Two hundred and seventy students completed the questionnaire for a 61.3% response rate. Dental hygiene students agreed more to how incorporating shared learning would help to think more positively about other oral health care professionals (p = 0.025) and would help students to become better oral health care team members (p = 0.002). Dental students agreed more than dental hygiene students that the function of a dental hygienist is to provide support for dentists (p ≤ 0.001) and that they must acquire more knowledge than other oral health care students (p ≤ 0.001). Most students (93%) agreed that intraprofessional learning would help in becoming a more effective oral health care team member.

Conclusion

Dental hygiene students feel more strongly than dental students about including intraprofessional education in their learning. However, all students were receptive to the idea of incorporating intraprofessional practices.
Novel Image‐Guided Simulator for Transcervical Intralaryngeal Injection Training
Authors: Kaiser Zane , Zeatoun Abdullah , Shah Rupali N. , Buckmire Robert A.
Published: October 2024

Objective(s)

To assess the impact of a novel 3D‐printed simulation model with Brainlab Image Guidance on enhancing otolaryngology residents' skills and confidence in performing transcervical intralaryngeal injection (TII) compared with conventional training methods.

Methods

Utilizing a 3D‐printed larynx model derived from computed tomography (CT) scans, this study involved 16 otolaryngology residents divided into two groups for TII training: one with Brainlab Image Guidance (LMIG) and the other without (LM). Pre‐ and post‐training evaluations measured participants' confidence while the Brainlab system measured the accuracy of their needle placements.

Results

After training, participants exhibited a significant increase in confidence with an average rise from 1.56 to 2.75 on a 5‐point scale. The LMIG group outperformed the LM group in accuracy achieving statistically significant reductions in target distances after training (3.5 mm right, 3.6 mm left). The LMIG also demonstrated a significantly greater increase in procedural confidence over the LM group after training.

Conclusion

The TII laryngeal model with Brainlab Image Guidance significantly improves procedural confidence and accuracy among otolaryngology residents, signifying potential advantage over a more conventional training approach. The model's realistic tactile and live instrument positioning feedback augments the process of surgical skill refinement in a controlled, risk‐free, simulation environment.

Level of Evidence

NA Laryngoscope, 135:763–768, 2025
Nanoengineering‐armed oncolytic viruses drive antitumor response: progress and challenges
Authors: Zhang Yan , Shi Xinyu , Shen Yifan , Dong Xiulin , He Ruiqing , Chen Guo , Zhang Yan , Tan Honghong , Zhang Kun
Published: October 2024

Oncolytic viruses (OVs) have emerged as a powerful tool in cancer therapy. Characterized with the unique abilities to selectively target and lyse tumor cells, OVs can expedite the induction of cell death, thereby facilitating effective tumor eradication. Nanoengineering‐derived OVs overcome traditional OV therapy limitations by enhancing the stability of viral circulation, and tumor targeting, promising improved clinical safety and efficacy and so on. This review provides a comprehensive analysis of the multifaceted mechanisms through which engineered OVs can suppress tumor progression. It initiates with a concise delineation on the fundamental attributes of existing OVs, followed by the exploration of their mechanisms of the antitumor response. Amid rapid advancements in nanomedicine, this review presents an extensive overview of the latest developments in the synergy between nanomaterials, nanotechnologies, and OVs, highlighting the unique characteristics and properties of the nanomaterials employed and their potential to spur innovation in novel virus design. Additionally, it delves into the current challenges in this emerging field and proposes strategies to overcome these obstacles, aiming to spur innovation in the design and application of next‐generation OVs.
World Mental Health Day embraced by MH community
Authors: Canady Valerie A.
Published: October 2024

As observances of World Mental Health Day were marked last week on Oct. 10, organizations and provider groups moved forward with efforts to raise awareness about mental health around the country and mobilize efforts to support individuals experiencing mental health issues. Many released new reports on workplace mental health and offered virtual and in‐person resource awareness activities and events.
Navigating a 1E+60 Chemical Space of Peptide/Peptoid Oligomers
Authors: Orsi Markus , Reymond Jean‐Louis
Published: October 2024

Herein we report a virtual library of 1E+60 members, a common estimate for the total size of the drug‐like chemical space. The library is obtained from 100 commercially available peptide and peptoid building blocks assembled into linear or cyclic oligomers of up to 30 units, forming molecules within the size range of peptide drugs and potentially accessible by solid‐phase synthesis. We demonstrate ligand‐based virtual screening (LBVS) using the peptide design genetic algorithm (PDGA), which evolves a population of 50 members to resemble a given target molecule using molecular fingerprint similarity as fitness function. Target molecules are reached in less than 10,000 generations. Like in many journeys, the value of the chemical space journey using PDGA lies not in reaching the target but in the journey itself, here by encountering non‐obvious analogs. We also show that PDGA can be used to generate median molecules and analogs of non‐peptide target molecules.
Phlegmatization of TATP using a Vacuum Oil: Comparison with Diesel Oil and Demonstration of the Effect using a Large‐Scale Impact Tester
Authors: Jeunieau Laurence , Van Riet Romuald , Simoens Bart
Published: October 2024

TATP is a home‐made explosive that was used in several terrorist attacks. It is highly sensitive to impact and friction. Consequently, safe disposal methods are required for the Explosive Ordnance Disposable (EOD) teams. One such method is the phlegmatization of TATP. In this article, the ability of a vacuum oil to phlegmatize TATP is presented and compared to that of Diesel oil. The friction sensitivity of the mixtures containing the two tested phlegmatizers, as determined with a standard BAM friction test device, was slightly lower when the vacuum oil was used. The impact sensitivity obtained using a standard BAM Fall Hammer was low when a large amount of vacuum oil was used. By comparison, a mixture prepared in the same condition with Diesel oil at the place of the vacuum oil exhibits a high sensitivity to impact. A homemade sensitivity impact device was used to test the sensitivity of TATP in a different way: larger amounts of TATP and less confined samples were tested. Similar results were obtained for both phlegmatizers when the homemade test device was used. This could be attributed to the lower confinement of the sample when tested on a larger scale. Following the results obtained with the standard BAM Fall Hammer and the precautionary principle, the use of the selected vacuum oil, Invoil oil is recommended to phlegmatize TATP. The phlegmatization of wet TATP was also investigated. Similar results were obtained for dry and wet TATP.
Appropriate sampling to aid on‐farm assessments of the haplotype composition of Zymoseptoria tritici populations
Authors: Harrison Catherine , Boonham Neil , Macarthur Roy , Parr Michael David , van den Berg Femke
Published: October 2024

BACKGROUND

Zymoseptoria tritici causes Septoria tritici blotch (STB), which is the biggest threat to wheat in the UK. Azole fungicides have been used since the 1980s to control STB, but resistance to these chemicals is now widespread. The main resistance mechanism is based on the accumulation of CYP51 mutations, with 33 mutations reported. Hence, farmers need an accurate estimate of the haplotype composition of Z. tritici populations to develop effective fungicide treatments and resistance management.

RESULTS

Isolates from Z. tritici lesions were collected from three fields across three commercial farms using two sampling approaches. Analysis of the isolate sequences revealed that the number of distinct haplotypes and the haplotype composition of the most dominant haplotypes varied only between and not within farms. Conventional W‐shaped and point sampling both found the same percentage of distinct haplotypes and frequencies of the six most dominant haplotypes.

CONCLUSION

The results from this survey suggest that farm‐resistance‐management strategies should be based on farm‐specific rather than national data, and that sampling within a single field is sufficient. W‐shaped sampling is often recommended in sampling approaches, but this survey finds no evidence of this approach being more appropriate for detecting a greater percentage of distinct haplotypes which may aid the discovery of potential new resistance threats. © 2024 Fera Science Ltd. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Balance Index to Determine the Follow‐Up Duration of Oncology Trials
Authors: Yang Lei , Lu Feinan
Published: October 2024

Several indices were suggested to determine the follow up duration in oncology trials from either maturity or stability perspective, by maximizing time such that the index was either greater or less than a pre‐defined cutoff value. However, the selection of cutoff value was subjective and usually no commonly agreed cutoff value existed; sometimes one had to resort to simulations. To solve this problem, a new balance index was proposed, which integrated both data stability and data maturity. Its theoretical properties and relationships with other indices were investigated; then its performance was demonstrated through a case study. The highlights of the index are: (1) easy to calculate; (2) free of cutoff value selection; (3) generally consistent with the other indices while sometimes able to shorten the follow‐up duration thus more flexible. For the cases where the new balance index cannot be calculated, a modified balance index was also proposed and discussed. For either single arm trial or randomized clinical trial, the two new balance indices can be implemented to widespread situations such as designing a new trial from scratch, or using aggregated trial information to inform the decision‐making in the middle of trial conduct.
On the thermodynamic invariance of fine‐grain and coarse‐grain fluid models
Authors: Dubos Thomas
Published: October 2024

Thermodynamics is an essential ingredient of fine‐grain and coarse‐grain models of oceanic and atmospheric flows. Thermodynamic functions and conservative variables, for a given set of observable quantities such as pressure, temperature, and composition, may be defined up to a certain degree of arbitrariness, in the sense that the predictions of the fine‐grain model are insensitive to, for example, some reference enthalpies, entropies, or pressures. Since the compressible Navier–Stokes model, regarded as a “mother” fine‐grain model, is invariant with respect to arbitrary changes in reference enthalpies and entropies, restricted only by phase change, any coarse‐grain model obtained from it, even conceptually, must be invariant at least to the same extent. A framework is devised that enables the systematic examination of this invariance. It is found that the dependence of usual conservative variables on a reference pressure propagates to their fluxes and gradients, and to downgradient closures based on them. To resolve this issue, it is shown how to construct invariant “reduced” gradients and fluxes of enthalpy and entropy. Closure relationships between such “reduced” fluxes and gradients are then guaranteed to be invariant. More work is required to address the invariance of more sophisticated closures, especially shallow and deep convective closures.
One‐Pot Synthesis of Pyrazoles from Sulfonyl Hydrazides and Alkynyl Ketones Using Environmentally Benign Sulfonium Iodate (I) Reagent
Authors: Mishra Akanksha , Talukdar Mrinal , Krishna Gamidi Rama , Begari Eeshwaraiah
Published: October 2024

Pyrazole is an omnipresent moiety in many natural products and pharmaceutically active compounds. Here, we have developed a simple and dynamic method for one‐pot synthesis of substituted pyrazoles through the intramolecular cyclization of hydrazides and alkynyl ketones, using a novel sulfonium saltbased iodate (І) reagent system. This method has the advantage that it proceeds in a one‐pot, without isolating a less stable hydrazone intermediate. Hypervalent iodine‐based reagents are an environmentally benign and greener option to toxic metal oxidants; they have an extensive application in metal‐catalyst‐free reactions, and this reaction proceeds in less time with high yields.
Sulfonamide Derivatives as Potent Antituberculosis Agents: A Literature Survey of the Past Decade
Authors: Rita  , Kandari Aditi , Benjwal Sakshi , Negi D. S. , Puri Surendra
Published: October 2024

Tuberculosis (TB) is a serious, life‐threatening infectious disease that mostly affects the lungs and is caused by Mycobacterium tuberculosis (MTB). Still, in 2024, because of its widespreadness, contagious nature, and an increasing number of patients with other diseases, it is hard to cure, and leftovers as the deadliest disease to mankind across the world. In recent years, abundant efforts have been made to cure and eradicate TB, but drug‐resistant TB (DR‐TB) or multidrug‐resistant TB (MDR‐TB) surges the rate of mortality. Recently, World Health Organization (WHO) released the Global Tuberculosis (TB) Report 2022, in which the millions of infections and deaths stretched a line of serious concern to the scientists. In pursuit of searching for novel anti‐TB agents, several derivatives of sulfonamides have been synthesized and tested for their anti‐TB activity. It is noteworthy that lead compounds contain sulfonamide functionalities, which are the privileged motifs that act as crucial pharmacophores in many bioactive compounds and have diverse biological activities, including analgesics, antitubercular, antifungal, antidepressant, anti‐inflammatory, antihypertensive, antidiabetic, anticancer, antimalarial, antioxidant, antimicrobial, etc. The review encapsulates the latest methods for preparing sulfonamide derivatives and their groundbreaking medicinal applications from 2007 to 2020.
Factors associated with loneliness, depression, and anxiety during the early stages of the COVID‐19 pandemic
Authors: Raio Candace M. , Szuhany Kristin L. , Secmen Aysu , Mellis Alexandra M. , Chen Alan , Adhikari Samrachana , Malgaroli Matteo , Miron Carly D. , Jennings Emma , Simon Naomi M. , Glimcher Paul W.
Published: October 2024

The COVID‐19 pandemic was an unparalleled stressor that enhanced isolation. Loneliness has been identified as an epidemic by the US Surgeon General. This study aimed to: (1) characterize longitudinal trajectories of loneliness during the acute phase of the COVID‐19 pandemic; (2) identify longitudinal mediators of the relationship of loneliness with anxiety and depression; and (3) examine how loneliness naturally clusters and identify factors associated with high loneliness. Two hundred and twenty‐nine adults (78% female; mean age = 39.5 ± 13.8) completed an abbreviated version of the UCLA Loneliness Scale, Perceived Stress Scale, Emotion Regulation Questionnaire, State Anxiety Inventory, and Patient Health Questionnaire‐8 longitudinally between April 2020 and 2021. Trajectory analyses demonstrated relatively stable loneliness over time, while anxiety and depression symptoms declined. Longitudinal analyses indicated that loneliness effects on anxiety and depression were both partially mediated by perceived stress, while emotion regulation capacity only mediated effects on anxiety. Three stable clusters of loneliness trajectories emerged (high, moderate, and low). The odds of moderate or high loneliness cluster membership were positively associated with higher perceived stress and negatively associated with greater cognitive reappraisal use. Our results demonstrate the important interconnections between loneliness and facets of mental health throughout the early phases of the pandemic and may inform targeted future interventions for loneliness work.
Should the Federal Reserve raise its inflation target?
Authors: White Lawrence H.
Published: October 2024

Standard economic reasoning shows that higher inflation imposes higher tax rates on money balances and unindexed savings, causing financial losses to households and reducing their real incomes. The leading cases for the Federal Reserve to raise its inflation target—that more inflation better “greases the wheels” of a sticky‐price economy, or that it beneficially keeps us farther above the zero lower bound on nominal interest rates—rest on supposed gains from higher inflation that do not plausibly outweigh the losses. The “grease” argument that low inflation reduces real GDP is inconsistent with historical experience under low‐inflation regimes. The argument that the inflation target should be raised to give the Federal Reserve “more ammunition” to fight recessions overlooks effective and less costly methods for conducting counter‐recessionary monetary policy, in particular quantitative easing.
Investigation of Forces Applied to an Artificial Nipple Using a Four‐Node Model Simulating Infant Tongue Movement
Authors: Nishi Eri , Makado Takumi , Singh Abhishek Pratap , Hassanipour Fatemeh
Published: October 2024

The purpose of this study is to estimate the forces applied to several types of artificial nipples using a four‐node model that simulates the tongue movements of infants during sucking. A tongue movement simulator was developed using data previously collected from a population of more than 100 infants. We showed that different artificial nipples result in different output forces when the same force is applied at a given position in the four‐node model. We also showed that the force output varied with slight changes in the position of a given artificial nipple. Furthermore, the analysis of force in 62 cases as a function of the position of the bottle (different lengths, heights, and angles) using multiple regression suggested a relationship between force and bottle position. The findings of this study confirm the importance of estimating the force quantitatively. Further research in this direction can contribute to identify selection criteria and assess the insertion position of artificial nipples. © 2024 Institute of Electrical Engineers of Japan and Wiley Periodicals LLC.
Prototype Relationship Optimization Network for Few‐Shot Learning
Authors: Wang Dengzhong , Zhong Yuan , Ma Yunfei , Guo Chunsheng
Published: October 2024

Few‐shot learning (FSL) aims to infer labels for new samples based on a few labeled samples. FSL based on prototype metrics emphasizes the distance between unlabeled sample features and prototypes generated from a few labeled samples. However, due to the limited number of samples and the uncertainty of samples, the discrepancy between prototypes and the center of the real features may lead to metric error. This paper proposes the Prototype Relationship Optimization Network (PRON) to alleviate the prototype bias issue by utilizing prototype relationship optimization. The PRON involves three fundamental processes: (i) Constructing a multi‐layer prototype through multi‐layer feature embedding to enhance prototype representation capabilities; (ii) Utilizing prototype relationship interaction network of multi‐layer prototype forms multi‐layer prototype relationships to weaken the influence of uncertainty and strengthen the discrimination; (iii) Introduces a prototype refinement mechanism in the cascade structure to optimize prototype relationship representation. The inductive standard experimental results on three popular benchmark datasets show that the performance of the proposed method is very competitive and comparable to the state‐of‐the‐art FSL methods. © 2024 Institute of Electrical Engineers of Japan and Wiley Periodicals LLC.
Delayed gastric emptying risk stratification in patients with pancreatic ductal adenocarcinoma after pancreatoduodenectomy: An international validation cohort study
Authors: Gu Zongting , Du Yongxing , Duan Yunjie , Zheng Xiaohao , Wang Chengfeng , Zhang Jianwei
Published: October 2024

Background

Currently, there is still a lack of an accurate predictive model for delayed gastric emptying (DGE) following pancreaticoduodenectomy (PD) in patients with pancreatic ductal adenocarcinoma (PDAC). The aim of this study was to develop a concise model that could effectively predict the risk of DGE.

Methods

This retrospective cohort study included a training cohort of 1251 consecutive PDAC patients who underwent PD from the US multicenter ACS‐NSQIP database. Additionally, a validation cohort of 934 consecutive PDAC patients who underwent PD was included from the National Cancer Center in China. A total of 46 perioperative indicators were incorporated in the analysis. The DGE risk stratification (DGERS) model was then developed and validated using Lasso‐logistic regression.

Results

After screening using Lasso‐logistic regression, we identified four independent predictors that were significantly correlated with DGE: days to pancreatic drain removal (HR, 1.05; 95% CI, 1.02–1.08; p < 0.001), pancreatic fistula (HR, 2.61; 95% CI, 1.65–4.12; p < 0.001), sepsis/septic shock (HR, 2.46; 95% CI, 1.52–3.91; p < 0.001), and reoperation (HR, 4.16; 95% CI, 2.27–7.57; p < 0.001). Based on these factors, we developed a nomogram to predict postoperative DGE. The model demonstrated excellent calibration and optimal performance in the validation cohorts (AUC, 0.73; 95% CI, 0.67–0.73). In the validation cohort, the DGERS exhibited significant risk stratification ability, with AUC values of 0.7, 0.61, and 0.74 for the low‐, moderate‐, and high‐risk groups, respectively.

Conclusions

This study identified four factors that independently increased the occurrence of DGE in patients with PDAC after PD, including days to pancreatic drain removal, pancreatic fistula, sepsis/septic shock, and reoperation. Based on these findings, we developed a personalized and straightforward DGERS that enables dynamic and precise prediction of DGE risk, allowing for effective stratification of individuals based on their risk profiles.