bluuebunny/crossref_metadata_2025 huggingface dataset:
Indole N‐Linked Hydroperoxyl Adduct of Protein‐Derived Cofactor Modulating Catalase‐Peroxidase Functions
Authors: Li Jiasong , Duan Ran , Traore Ephrahime S. , Nguyen Romie C. , Davis Ian , Griffth Wendell P. , Goodwin Douglas C. , Jarzecki Andrzej A. , Liu Aimin
Published: September 2024

Bifunctional catalase‐peroxidase (KatG) features a posttranslational methionine‐tyrosine‐tryptophan (MYW) crosslinked cofactor crucial for its catalase function, enabling pathogens to neutralize hydrogen peroxide during infection. We discovered the presence of indole nitrogen‐linked hydroperoxyl adduct (MYW‐OOH) in Mycobacterium tuberculosis KatG in the solution state under ambient conditions, suggesting its natural occurrence. By isolating predominantly MYW‐OOH‐containing KatG protein, we investigated the chemical stability and functional impact of MYW‐OOH. We discovered that MYW‐OOH inhibits catalase activity, presenting a unique temporary lock. Exposure to peroxide or increased temperature removes the hydroperoxyl adduct from the protein cofactor, converting MYW‐OOH to MYW and restoring the detoxifying ability of the enzyme against hydrogen peroxide. Thus, the N‐linked hydroperoxyl group is releasable. KatG with MYW‐OOH represents a catalase dormant, but primed, state of the enzyme. These findings provide insight into chemical strategies targeting the bifunctional enzyme KatG in pathogens, highlighting the role of N‐linked hydroperoxyl modifications in enzymatic function.
Rare Earth Er‐Nd Dual Single‐Atomic Catalysts for Efficient Visible‐light Induced CO2 Reduction to CnH2n+1OH (n=1, 2)
Authors: Li Pengyan , Qi Zhenhong , Yan Dongpeng
Published: September 2024

Efficient synthesis of CnH2n+1OH (n=1, 2) via photochemical CO2 reduction holds promise for achieving carbon neutrality but remains challenging. Here, we present rare earth dual single atoms (SAs) catalysts containing ErN6 and NdN6 moieties, fabricated via an atom‐confinement and coordination method. The dual Er−Nd SAs catalysts exhibit unprecedented generation rates of 1761.4 μmol g−1 h−1 and 987.7 μmol g−1 h−1 for CH3CH2OH and CH3OH, respectively. Through a combination of theoretical calculation, XAFS analysis, aberration‐corrected HAADF‐STEM, and in‐situ FTIR spectroscopy, we demonstrate that the Er SAs facilitate charge transfer, serving as active centers for C−C bond formation, while Nd SAs provide the necessary *CO for C−C coupling in C2H5OH synthesis under visible light. Furthermore, the experiment and DFT calculation elucidate that the variety of electronic states induced by 4 f orbitals of the Er SAs and the p−f orbital hybridization of Er−N moieties enable the formation of charge‐transfer channel. Therefore, this study sheds light on the pivotal role of *CO adsorption in achieving efficient conversion from CO2 to CnH2n+1OH (n=1, 2) via a novel rare earth‐based dual SAs photocatalysis approach.
How Can Materials Chemists Contribute to Food Supply Security in the Age of AI and Robotics?
Authors: Cademartiri Ludovico
Published: September 2024

Global factors are compromising the security of the food supply. Many of us in our community might be unsure about how to help with our seemingly inapplicable expertise. In this piece, I describe how materials chemistry and materials chemists will be essential in addressing this problem, but not only in the way we might think. There is a gigantic and largely unexplored opportunity for real societal impact if we accept a broader view of what academic materials chemistry can be.
Coupling Photocatalytic Hydrogen Production with Key Oxidation Reactions
Authors: Teng Jiayan , Li Wenlu , Wei Zhen , Hao Derek , Jing Lin , Liu Yuxi , Dai Hongxing , Zhu Yongfa , Ma Tianyi , Deng Jiguang
Published: September 2024

Hydrogen represents a clean and sustainable energy source with wide applications in fuel cells and hydrogen energy storage systems. Photocatalytic strategies emerge as a green and promising solution for hydrogen production, which still reveals several critical challenges in enhancing the efficiency and stability and improving the whole value. This review systematically elaborates on various coupling approaches for photocatalytic hydrogen production, aiming to improve both efficiency and value through different oxidation half‐reactions. Firstly, the fundamental mechanism is discussed for photocatalytic hydrogen production. Then, the advances, challenges, and opportunities are expanded for the coupling of photocatalytic hydrogen production, which focuses on the integration of value‐added reactions including O2 production, H2O2 production, biomass conversion, alcohol oxidation, and pollutants treatment. Finally, the challenges and outlook of photocatalytic H2 production technology are analyzed from the aspects of coupling hydrogen production value, photocatalyst design and reaction system construction. This work presents a holistic view of the field, emphasizing the synergistic benefits of coupled reactions and their practical application potential, rather than focusing on catalysts or single reaction systems. This review provides valuable references for the development and application of photocatalytic hydrogen production in energy conversion and environmental conservation through sustainable, eco‐friendly and economic pathways.
The effect of the modification mechanism of SiO2 in resin‐based friction materials on the mechanical and tribological performance
Authors: Zhao Yuncai , Gu Yanglang , Jiang Bingchun , Zou Yaoping , Wan Shaochen
Published: September 2024

This study aimed to address the thermal degradation of resin‐based friction materials in the mid‐temperature stage (200–250°C), as well as the resulting instability of the friction coefficient and decrease in the mechanical properties. To investigate the impact on the toughening and wear resistance properties, this study employed nanosilica‐modified resin‐based friction materials. The mechanical, friction, and wear properties of the modified samples were tested using a Rockwell hardness tester, hydraulic universal testing machine, and constant speed friction tester. The phase composition and microstructure of the samples were analyzed by scanning electron microscope, energy‐dispersive x‐ray spectroscopy, x‐ray diffraction. When the mass fraction of nanosilica was 3%, modified sample S3 exhibited excellent mechanical properties, with shear strength and compressive strength reaching 40.3 and 171.7 MPa, respectively, which were increased by 30% and 9% compared to unmodified sample S1. Moreover, the density and hardness of sample S3 showed minimal variation compared to those of unmodified sample S1. In the temperature range of 100–250°C, the wear rate of modified sample S3 remained within the range of 0.22 × 10−7–0.38 × 10−7 N−1 m−1, with a friction coefficient of 0.38 at 200°C, demonstrating excellent wear resistance.
Creation of Excitation‐Driven Hypervalent Tin(IV) Compounds For Aggregation‐Induced Emission and Application to Thermoresponsive Luminescent Films Below Freezing Point
Authors: Gon Masayuki , Shibahara Keisuke , Tanimura Kazuya , Tanaka Kazuo
Published: September 2024

Although many researchers have devoted their much effort to establish the strategy for developing a stimuli‐responsive molecule and tuning of their properties according to the preprogrammed design, it is still challenging to create desired molecules from the scratch. We recently demonstrated that the molecules with a large structural difference between the theoretically optimized structures in the ground and excited states have a potential to exhibit stimuli‐responsive luminescent properties. We defined these molecules as an excitation‐driven molecule and have shown that they are a versatile platform for designing stimuli‐responsive luminescent molecules. Herein, based on the concept of excitation‐driven molecules, we show that the hypervalent tin‐fused azomethine (TAm) compounds possessing aggregation‐induced emission (AIE) properties can be obtained by simple chemical modification with a methyl group although conventional TAm derivatives are well known to be highly luminescent compounds in solution. Furthermore, by combining the solid‐state luminescence property of AIE and the coordination number shifts of the hypervalent tin atom, the thermoresponsive films operating below the freezing point are fabricated with the polymer. In this study, we apply the concept of excitation‐driven molecules to the hypervalent compounds and demonstrate to obtain the novel functional materials.
Computertomografie versus Optoanalytik: Bestimmung der Faserverteilung und ‐orientierung in stahlfaserbewehrtem UHFB
Authors: Heck Lennart , Schleiting Maximilian , Leutbecher Torsten
Published: September 2024

Faserverteilung und ‐orientierung beeinflussen die Nachrisszugfestigkeit von stahlfaserbewehrtem ultrahochfestem Beton. Zu ihrer Bestimmung stehen verschiedene Verfahren zur Verfügung, darunter das optoanalytische Verfahren an Schnittflächen und die dreidimensionale Mikro‐Computertomografie (μCT). Mit beiden Verfahren können Einzelfasern in Querschnitten bzw. Volumen detektiert und daraus Lage und Ausrichtung der Fasern berechnet werden. Für den vorliegenden Beitrag wurden beide Verfahren vergleichend an drei Probenvolumen angewendet, bei denen der Größtkorndurchmesser und die Herstellmethode variierten. Ermittelt wurden die Faseranzahl, der Fasergehalt und die Faserorientierung durch Schnittflächenanalyse sowie in virtuellen Schnitten der rekonstruierten Volumenstruktur. Die μCT‐Analyse zeigte, dass sich der Fasergehalt für verschiedene Schnitte innerhalb eines Probenvolumens bereits auf kurzer Distanz deutlich unterscheiden kann. Des Weiteren wurden mittels μCT Effekte sichtbar, die auf einen Zusammenhang mit dem Größtkorndurchmesser schließen lassen. Der Vergleich der Ergebnisse beider Analyseverfahren ergab eine insgesamt gute Übereinstimmung. Für Fasern, die annähernd normal zur betrachteten Schnittebene orientiert waren, lieferte die optische Analyse tendenziell etwas zu niedrige Faserorientierungsbeiwerte, da der Querschnitt der in der Schnittfläche detektierten Faser als stärker elliptisch erkannt wurde.
Linking secretion and cytoskeleton in immunity– a case for Arabidopsis TGNap1
Authors: Bhandari Deepak D. , Brandizzi Federica
Published: September 2024

In plants, robust defense depends on the efficient and resilient trafficking supply chains to the site of pathogen attack. Though the importance of intracellular trafficking in plant immunity has been well established, a lack of clarity remains regarding the contribution of the various trafficking pathways in transporting immune‐related proteins. We have recently identified a trans‐Golgi network protein, TGN‐ASSOCIATED PROTEIN 1 (TGNap1), which functionally links post‐Golgi vesicles with the cytoskeleton to transport immunity‐related proteins in the model plant species Arabidopsis thaliana. We propose new hypotheses on the various functional implications of TGNap1 and then elaborate on the surprising heterogeneity of TGN vesicles during immunity revealed by the discovery of TGNap1 and other TGN‐associated proteins in recent years.
Identification and characterization of two new oxidation degradation impurities in cinnarizine through LC‐HRMS/MS and 1H NMR, along with in silico toxicity predictions of its degradation products
Authors: Jain Mohit , Khan Shahnawaz
Published: September 2024

Cinnarizine (CIN) drug substance is a US FDA and EMA approved antihistaminic drug, There is no report available on CIN for the identification of degradation products and their degradation pathway. Herein, we report a stability‐indicating assay method for CIN, the formation and characterization of its major degradation products using LC‐HRMS/MS and 1H‐NMR techniques. CIN was subjected to oxidation, acid, base, thermal and photolytic degradation conditions. Two unknown degradation products (DP‐1 and DP‐2) of CIN were formed under oxidative conditions. We successfully separated these degradants using gradient elution on an Inertsil ODS 3 V column (150 × 4.6 mm, 5 μm) using mobile phase A consisting of 0.1% formic acid and the mobile phase B consisting of 0.1% formic acid/acetonitrile (20/80, v/v). CIN was labile to oxidative conditions and stable to acidic, alkaline hydrolytic, photolytic and thermal conditions. The degradation pathways were derived from the nature of the product formed under oxidative degradation conditions and available reports for confirmation of the mechanism. Since the stability‐indicating assay method can be utilized for stability studies and routine quality control of CIN in both the pharmaceutical industry and research laboratories. This method has been validated in compliance with the guidelines set forth by the ICH.
Uncommon presentation of transitional cell carcinoma: A case report of hand involvement
Authors: Sanei‐Far Zahra , Gharib Masoumeh
Published: September 2024

Key Clinical Message

It is uncommon to see bladder cancer metastases in the hand. A 65‐year‐old man had bladder cancer surgery 3 years ago. His axilla and wrist swelled after surgery. Final amputation was necessary as the cancer had spread to hand. Transitional cell carcinoma was detected by immunohistochemistry with GATA‐3, CK7, CK20, and p63 positivity.
Ultrasound guided pulsed radiofrequency neuromodulation of sphenopalatine ganglion treatment for allergic rhinitis in childern: A case report
Authors: Geng Zeyang , Wang Chenyang , Wang Ruilin , Zhang Aimin
Published: September 2024

Key Clinical Message

Allergic rhinitis (AR) is a chronic noninfectious inflammation of the nasal mucosa mediated primarily by allergen‐specific immunoglobulin E (IgE) in atopic individuals after exposure to allergens, with the involvement of non‐IgE‐mediated mechanisms and neuroimmune dysregulation. Conservative treatment of AR is ineffective in children who lack compliance, and traditional surgical procedures are risky, making treatment of this community challenging. The sphenopalatine ganglion (SPG), aka pterygopalatine ganglion, is the largest of the four parasympathetic ganglia located within the head region, existing as a bilateral pair. The fibers that arise from the SPG regulate secretomotor functions and provide sensation from various structures, including the lacrimal glands, the mucous membranes of the oropharynx, nasopharynx, nasal cavity, and upper portion of the oral cavity. Previous studies suggest that SPG plays a much crucial role in the neuro‐related pathophysiological mechanisms of AR. Pulsed radiofrequency (PRF) is a commonly used technique in pain management to produce neuromodulatory effects without damaging nerve tissue. Previous research suggests that SPG dysfunction is one of the important pathophysiological mechanisms of trigeminal autonomic cephalalgia, and PRF targeting SPG can effectively exert neuromodulatory effects to improve its symptoms. We thus predicted that the application of PRF for neuromodulation of SPG would be beneficial for symptom remission in AR. We report the first case of AR successfully treated with PRF targeting the SPG, symptoms did ameliorate during the 24‐week follow‐up period, as manifested by the disappearance of nocturnal open‐mouth breathing and its murmur and a significant reduction in the frequency and severity of daily episodes of nasal congestion, tearing, and conjunctival congestion, which diversifies clinical interventions for AR.
The Fabrication of ZIF‐L Derived Zns/Mos2@NC Anode Materials for Remarkable Lithium‐Ion Storage
Authors: Wang Jian , Zhang Baixue , Kang Kai , Li Peihua , Zhang Wanggang , Liu Yiming
Published: September 2024

The enhancement of electrochemical performance in lithium‐ion batteries can be achieved through the incorporation of MoS2 with carbon materials and various metal sulfides. In this study, a ZnS/MoS2 heterostructure was developed, featuring a two‐dimensional nitrogen‐doped carbon nanosheet (NC) backbone. The synthesis of ZnMoZIF−L precursors was accomplished by introducing a Mo source in a 1 : 1 molar ratio during the ZIF−L synthesis process. Following high‐temperature carbonization and vulcanization treatment, ZnS/MoS2@NC composite materials were successfully synthesized. Compared to the unvulcanized ZnO/MoO3@NC and MoS2 samples, the ZnS/MoS2@NC composite exhibits remarkable lithium storage performance. At a current density of 500 mA g−1, the initial reversible capacity capacity is still as high as 1674 mAh g−1. Furthermore, this composite material demonstrates optimal rate capabilities and a significant contribution to pseudocapacitance. The nitrogen‐doped carbon framework effectively mitigates volume changes, while the heterostructural design provides more active sites for lithium‐ions, thereby enhancing lithium storage performance.
3,3‐Difluorooxetane–A Versatile Functional Group for Bioisosteric Replacements in Drug Discovery
Authors: Liashuk Oleksandr S. , Fedinchyk Anastasiya , Melnykov Kostiantyn P. , Herasymchuk Maksym , Alieksieieva Diana , Lesyk Dmytro , Bas Yuliia P. , Keda Tetiana Ye. , Yatsymyrskiy Andriy V. , Holota Yuliia , Borysko Petro , Yarmolchuk Volodymyr S. , Grygorenko Oleksandr O.
Published: September 2024

Functional group (FG) is one of the cornerstone concepts in organic chemistry and related areas. The wide spread of bioisosterism ideas in medicinal chemistry and beyond caused a striking rise in demand for novel FGs with a defined impact on the developed compound properties. In this work, the evaluation of the 3,3‐difluorooxetane unit (3,3‐diFox) as a functional group for bioisosteric replacements is disclosed. A comprehensive experimental study (including multigram building block synthesis, quantification of steric and electronic properties, measurements of pKa, LogP, chemical stability, and biological evaluation of the 3,3‐diFox‐derived bioisostere of a drug candidate) revealed a prominent behavior of the 3,3‐diFox fragment as a versatile substituent for early drug discovery programs.
Großes Geheimnis Glas
Authors: Sicker Dieter
Published: September 2024

„Tigellinus, mein Tränenglas!“ rief Peter Ustinov in der Rolle des Kaiser Nero im Monumentalfilm Quo vadis? über den Brand der Stadt Rom im Jahr 64. Das Tränenglas ist zwar eine ironische Erfindung der Neuzeit, Glas aber gab es bereits im alten Rom. Dabei ist es kompliziert herzustellen.
Evaluation of a Radioiodinated G‐Quadruplex Binder in Cervical Cancer Models
Authors: Cristina Oliveira ]Maria , Campello Maria Paula Cabral , Gano Lurdes , Raposinho Paula , Belchior Ana , Mendes Edgar , Silva Catarina D. , Lopes‐Nunes Jéssica , Cruz Carla , Paulo António
Published: September 2024

We herein describe the radiosynthesis of a 125I‐labeled acridine orange derivative ([125I]‐C8), acting as a G‐quadruplex binder, and its biological evaluation in cervical cancer models, aiming to enlighten its potential as a radioligand for Auger Electron Radiopharmaceutical Therapy (AE‐RPT) of cancer. [125I]‐C8 was synthesized with a moderate radiochemical yield (ca. 60 %) by a [125I]iodo‐destannylation reaction. Its evaluation in cervical cancer HeLa cells demonstrated that the radiocompound has a significant cellular internalization with a notorious accumulation in the cell nucleus. In line with these results, [125I]‐C8 strongly compromised the viability of HeLa cells in a dose‐dependent manner, inducing non‐repairable DNA lesions that are most probably due to the AEs emitted by 125I in close proximity to the DNA molecule. Biodistribution studies in a murine HeLa xenograft model showed that [125I]‐C8 has fast blood clearance and high in vivo stability but poor tumor uptake, after systemic administration. The respective supramolecular conjugate with the AS1411 aptamer ([125I]‐C8/AS1411) led to a slower blood clearance in the same animal tumor model, although without improving the tumor uptake. To take advantage of the radiotoxicity of [125I]‐C8 against cervical cancer cells other strategies need to be studied, based namely on alternative nanodelivery carriers and/or intratumoral injection approaches.
Elementary Steps of Catalytic Reactions Occurring on Metallic Alloy Nanoparticles
Authors: Zhdanov Vladimir P.
Published: September 2024

Catalytic reactions running in an adsorbed overlayer on metallic alloy nanoparticles are of high interest in the context of applications in the chemical industry. The understanding of the corresponding kinetics is, however, still limited. One of the reasons of this state of the art is the interplay between adsorption and adsorbate‐influenced segregation of metal atoms inside alloy nanoparticles. I scrutinize this interplay by using a generic field model of segregation and the mean‐field approximation in order to describe adsorption, desorption, and elementary catalytic reactions. Under steady‐state conditions, the segregation is demonstrated to be manifested in the change of the dependence of the activation energies of desorption or elementary reactions on coverage, and the sign of this change is positive. The effect of this change on the apparent reaction orders is briefly discussed as well.
Ultrafast His‐Tagged Protein Purification
Authors: Luo Xuan , Pamidi Arjun S. , Gardner Zoe , Alrashaidi Fayed Abdullah , Raston Colin L. , Weiss Gregory A.
Published: September 2024

This article details how to use a vortex fluidic device (VFD) to accelerate protein purification via immobilized metal affinity chromatography (IMAC). Building upon a previous report of VFD‐based purification, we introduce a membrane insert to simplify the purification protocol and the resin recovery step. This new platform can be adapted to different types of IMAC resins and purification membranes. Proteins can be purified directly from clarified lysate, non‐clarified lysate, and even non‐lysed cultures without concerns of system clogging. Strong binding between the Ni2+ and the target protein's His6‐tag effectively captures the target protein on IMAC resins or membranes placed in the VFD. Continuous flow of different solutions through the VFD allows dynamic binding, washing, and elution of the target protein. Furthermore, the system dramatically accelerates protein purification; a typical purification from cell lysate requires approximately 4 min. Herein, we demonstrate the single‐step purification of two His6‐tagged proteins from both clarified and non‐clarified cell lysates without requiring batch binding. © 2024 The Author(s). Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Preparation of the resin‐loaded membrane insert and the vortex fluidic device (VFD) setup prior to purification

Basic Protocol 2: Purification of His6‐tagged proteins using the VFD

Alternate Protocol: VFD‐mediated His6‐tagged protein purification from non‐clarified lysate

Support Protocol: Preparation of chemically modified glass fiber membrane for VFD‐mediated immobilized metal affinity chromatography purification
Combining abilities and quantitative inheritance of sorgoleone exudation in Sorghum bicolor
Authors: Maharjan Bal , Leon Fabian , Rooney William L. , Okumoto Sakiko
Published: September 2024

Sorghum (Sorghum bicolor) has the ability to inhibit the conversion of ammonium to nitrate (biological nitrification inhibition [BNI]) in the rhizosphere, which in turn prevents the loss of bioavailable nitrogen. Sorgoleone is a lipidic compound secreted by sorghum root hairs and is responsible for roughly 60% of BNI activity in sorghum. Previous studies revealed variation in sorgoleone secretion among different accessions and cultivars. However, little information is available regarding the genetic inheritance of sorgoleone secretion in sorghum. To increase sorgoleone through breeding, an understanding of the inheritance of this trait is required. In this study, 21 seed parents and 21 pollinator parents from the Texas AgriLife Research sorghum breeding program were crossed in an incomplete factorial design to generate 158 hybrids, and sorgoleone secretion from both hybrids and inbreds was quantified. There was significant variation in sorgoleone secretion across hybrids and inbred lines, and small but significant mid‐parent heterosis was observed in the hybrids. A linear mixed model analysis to calculate general and specific combining abilities for inbred parents and hybrids detected significant genetic effects for the male, the female, and male × female interactions (p < 0.001). Broad‐sense heritability was high ( = 0.87), while narrow‐sense heritability for the seed parents and pollinator parents was moderate (= 0.35 and  = 0.39, respectively). These results indicate that sorgoleone exudation is primarily driven by additive genetic effects, but dominance effects are important for optimum production. These findings indicate that selection for increased sorgoleone root exudation among elite, adapted grain sorghum hybrids and inbred should be effective.
N, F Co‐Doped Carbon Material Self‐Supporting Cathode for High‐Performance Lithium‐Oxygen Batteries
Authors: Sun Guangting , Fu Yaning , Li Jie , Ma Shiyu , Lu Youcai , Liu Qingchao
Published: September 2024

The Li‐O2 battery has emerged as a promising energy storage system due to its exceptionally high theoretical energy density of 3500 Wh kg−1. However, the sluggish kinetics associated with the formation and decomposition of discharge product Li2O2 poses several challenges in Li‐O2 batteries, including excessive over‐potential, limited rate performance, and reduced actual specific energy. Consequently, the development of cost‐effective cathode catalysts with enhanced catalytic activity and long‐term stability represents a viable approach to address these challenges. In this study, commercial melamine foam is utilized as a precursor material which was subjected to pyrolysis at elevated temperatures with PVDF to synthesize N, F co‐doped self‐supporting carbon cathode (NF‐NSC). Remarkably, thanks to the synergistic effects of N, F heteroatomic in conjunction with the inherent three‐dimensional reticular porous structure, NF‐NSC exhibited enhanced electrochemical performance when utilized in Li‐O2 batteries. Specifically, the NF‐NSC cathode demonstrated an impressive discharge specific capacity of up to 35204 mAh g−1 alongside a low over‐potential (0.86 V) and excellent cycling stability (146 cycles).
IRS‐enabled NOMA in energy scavenging underlay networks: Performance analysis
Authors: Ho‐Van Khuong
Published: September 2024

By transmitting concurrently signals of different users, non‐orthogonal multiple access (NOMA) meliorates spectral efficiency. Moreover, intelligent reflective surface (IRS) is introduced as a bridge between a NOMA transmitter and a distant NOMA receiver. This role enhances spectral efficiency and communication reliability. Furthermore, energy scavenging underlay networks (ESUNs) enable unlicensed transmitters to operate using scavenged energy on licensed spectrum allotted to licensed transmitters, enhancing both spectral and energy efficiencies. Although IRS‐assisted NOMA further meliorates spectral efficiency and communication reliability for traditional ESUNs, it faces challenges like fading severity and nonlinear energy scavenging (nlES), which directly impact scavenged energy and communication reliability. Thence, the paper assesses three pivotal performance metrics—energy efficiency, outage probability, and throughput—for IRS‐assisted NOMA in ESUNs, shortly RaNOehU, considering realistic factors such as relatively‐general Nakagami‐m fading and nlES. Demonstrative results reveal that the quantity of reflective elements, fading severity, and nlES dramatically influence the performance of RaNOehU. Notably, appropriate selection of power/time division parameters and desired data rate can hinder complete outage and attain optimum performance. In addition, the proposed IRS‐assisted NOMA is shown to outperform its reference, which is IRS‐assisted orthogonal multiple access, emphasizing the advantages of NOMA.
Wandering campus footloose: How—and why—to foster connections to our buildings
Authors: Fatzinger Jim , Darville Dub
Published: September 2024

Campus buildings have been part of our community conversations of late, usually as leaders determine whether those particular founders or donors should be honored. But, as writer Goldie Blumenstyk recently shared, sometimes a building's name offers a sense of inclusion. Other authors, including Biemiller, Buckman, and DeSantis, have also discussed of late how physical infrastructure can help maximize campus planning, pride, publicity, and even investment.
Pregaming normalizes culture of drinking, drug use
Authors: Sutton Halley
Published: September 2024

Pregaming, tailgating, or other party activities revolving around alcohol before athletics events on college campuses can have dire and long‐lasting effects on students, according to a recent study from Texas A&M University.
Emerging Human Medications in Racing Animals: Analytical and Regulatory Challenges
Authors: Dorakumbura Buddhika N. , Beckett Nicola M. , Cook Elise C. , Nolan Ashley‐N' Dene , Brown David , Douglas Bianca
Published: September 2024

Positive identification and reporting of therapeutic substances intended for human consumption in race‐day equine and canine samples is a controversial topic. While inadvertent environmental exposure is a potential cause for the presence of these substances in race‐day samples, intentional use cannot be ruled out given their therapeutic benefits. Pregabalin is widely prescribed in Australia to treat epilepsy, anxiety, and neuropathic pain in humans; however, it is also increasingly used as a recreational drug. Metformin is commonly used to treat type 2 diabetes in humans. Both pregabalin and metformin have no routine use on racing animals and should not be present in race‐day samples taken from healthy animals. They are prohibited substances under the Rules of Racing with no established screening limits. Although therapeutic levels for these substances have been established in humans, such information is not available for animals. Pregabalin and metformin are analytically challenging molecules, more so when they are extracted from biological matrices routinely screened for hundreds of other compounds simultaneously. A simple extraction, followed by a targeted Ultra High‐Pressure Liquid Chromatography Orbitrap™ Mass Spectrometry method utilising a reverse‐phase C18 column, is presented. This method is effective in screening for pregabalin and metformin, in addition to more than 150 other compounds of interest in equine and canine urines. The prevalence of pregabalin and metformin in race‐day equine and canine urine samples in Western Australia was monitored using this method over 12 months. More than 4000 urine samples were screened, and four samples were confirmed positive for these substances.
Springing into action: Comparing escape responses between bipedal and quadrupedal rodents
Authors: Freymiller Grace A. , Whitford Malachi D. , McGowan Craig P. , Higham Timothy E. , Clark Rulon W.
Published: September 2024

Predation is a fundamental selective pressure on animal morphology, as morphology is directly linked with physical performance and evasion. Bipedal heteromyid rodents, which are characterized by unique morphological traits such as enlarged hindlimbs, appear to be more successful than sympatric quadrupedal rodents at escaping predators such as snakes and owls, but no studies have directly compared the escape performance of bipedal and quadrupedal rodents. We used simulated predator attacks to compare the evasive jumping ability of bipedal kangaroo rats (Dipodomys) to that of three quadrupedal rodent groups—pocket mice (Chaetodipus), woodrats (Neotoma), and ground squirrels (Otospermophilus). Jumping performance of pocket mice was remarkably similar to that of kangaroo rats, which may be driven by their shared anatomical features (such as enlarged hindlimb muscles) and facilitated by their relatively small body size. Woodrats and ground squirrels, in contrast, almost never jumped as a startle response, and they took longer to perform evasive escape maneuvers than the heteromyid species (kangaroo rats and pocket mice). Among the heteromyids, take‐off velocity was the only jump performance metric that differed significantly between species. These results support the idea that bipedal body plans facilitate vertical leaping in larger‐bodied rodents as a means of predator escape and that vertical leaping likely translates to better evasion success.
Platinum(II) Acetimino Cyclometalated Complexes Derived from Room Temperature Ammonia Activation
Authors: Murineddu Matteo , Zucca Antonio , Senzacqua Giacomo , Stoccoro Sergio , Carraro Massimo , Pilo Maria I. , Pichiri Giuseppina , Orrù Germano , Scano Alessandra
Published: September 2024

Two Pt(II) rollover cyclometalated complexes, [Pt(bpyPh−H)(DMSO)Me] (1) and [Pt(bpyPh−H)(DMSO)Cl] (2), where bpyPh−H is the C3‐deprotonated 6‐phenyl‐2,2’‐bipyridine, were reacted with aqueous ammonia in acetone at room temperature. In the case of the electron‐poor complex 2 simple substitution of DMSO by NH3 gave the amino complex [Pt(bpyPh−H)(NH3)Cl] (4), whereas the electron‐rich complex 1 produced the rare acetimine complex [Pt(bpyPh−H)(HN=CMe2)Me] (3), which was isolated and characterized. Complex 3 is stable both in solution and in the solid state, in the presence of air and water. The result is noteworthy, as the condensation product of acetone and ammonia, acetimine, is not stable under mild conditions. The reaction likely requires a Pt(II) electron‐rich complex and the presence of a carbon donor in trans position. An analogous reaction occurs with methylamine, allowing the synthesis of the secondary imine complex [Pt(bpyPh−H)(MeN=CMe2)Me], 5. Starting from this finding a series of cyclometalated acetimine complexes [Pt(N C)(HN=CMe2)Me] were isolated and characterized with other classical and rollover cyclometalated ligands with an array of different electronic and steric properties, indicating a possible extension of the reaction to various cyclometalated ligands. A preliminary study on the antimicrobial and antitumor properties of complex 3, taken as a model for this class, showed no significant effects against Gram‐positive, Gram‐negative bacteria, or yeasts, but found activity in vitro against HT29 colon cancer cell line.
Radical Cyclizations of N‐Methylallyl‐2‐arylindoles with Polychloromethanes to Assemble Polychloroalkylated Indolo[2,1‐a]isoquinolines
Authors: Pan Mei , Liao Hailin , Liu Jiyao , Gao Lijiu , Liu Yun , Liu Xiaoqin , Rong Liangce
Published: September 2024

An efficient synthesis of polychloroalkylated indolo[2,1‐a]isoquinolines has been achieved via aryldiazonium salt induced radical cyclization reaction of N‐methylallyl‐2‐arylindoles with dichloromethane or trichloromethane. In this reaction, neither metal catalyst nor additional oxidant was required, and an isoquinoline ring was constructed by tandem radical additions on the nonactivated carbon‐carbon double bond of allyl group in 2‐arylindoles. This protocol features advantages of wide substituent scope, environmentally friendly conditions and good yields.
Correlation properties of heart rate variability for exercise prescription during prolonged running at constant speeds: A randomized cross‐over trial
Authors: Gronwald Thomas , Horn Leonie , Schaffarczyk Marcelle , Hoos Olaf
Published: September 2024

The study explores the validity of the nonlinear index alpha 1 of detrended fluctuation analysis (DFAa1) of heart rate (HR) variability for exercise prescription in prolonged constant load running bouts of different intensities. 21 trained endurance athletes (9 w and 12 m) performed a ramp test for ventilatory threshold (vVT1 and vVT2) and DFAa1‐based (vDFAa1‐1 at 0.75 and vDFAa1‐2 at 0.5) running speed detection as well as two 20‐min running bouts at vDFAa1‐1 and vDFAa1‐2 (20‐vDFAa1‐1 and 20‐vDFAa1‐2), in which HR, oxygen consumption (VO2), respiratory frequency (RF), DFAa1, and blood lactate concentration [La‐] were assessed. 20‐vDFAa1‐2 could not be finished by all participants (finisher group (FG), n = 15 versus exhaustion group (EG), n = 6). Despite similar mean external loads of vDFAa1‐1 (10.6 ± 1.9 km/h) and vDFAa1‐2 (13.1 ± 2.4 km/h) for all participants compared to vVT1 (10.8 ± 1.7 km/h) and vVT2 (13.2 ± 1.9 km/h), considerable differences were present for 20‐vDFAa1‐2 in EG (15.2 ± 2.4 km/h). 20‐vDFAa1‐1 and 20‐DFAa1‐2 yielded significant differences in FG for HR (76.2 ± 5.7 vs. 86.4 ± 5.9 %HRPEAK), VO2 (62.1 ± 5.0 vs. 77.5 ± 8.6 %VO2PEAK), RF (40.6 ± 11.3 vs. 46.1 ± 9.8 bpm), DFA‐a1 (0.86 ± 0.23 vs. 0.60 ± 0.15), and [La‐] (1.41 ± 0.45 vs. 3.34 ± 2.24 mmol/L). Regarding alterations during 20‐vDFAa1‐1, all parameters showed small changes for all participants, while during 20‐vDFAa1‐2 RF and DFAa1 showed substantial alterations in FG (RF: 15.6% and DFAa1: −12.8%) and more pronounced in EG (RF: 20.1% and DFAa1: −35.9%). DFAa1‐based exercise prescription from incremental testing could be useful for most participants in prolonged running bouts, at least in the moderate to heavy intensity domain. In addition, an individually different increased risk of overloading may occur in the heavy to severe exercise domains and should be further elucidated in the light of durability and decoupling assessment.
Optimal Versus Naive Diversification in Commodity Futures Markets
Authors: Heide Max , Auer Benjamin R. , Schuhmacher Frank
Published: September 2024

Motivated by the ongoing debate on whether optimal or naive diversification should be preferred when distributing wealth across investment alternatives, this article investigates how the choice of covariance estimator affects mean‐variance portfolio selection. In an environment tailored to ideal tradability, we construct optimal commodity futures portfolios based on 12 promising covariance matrix estimators and compare their out‐of‐sample investment performance to a simple, equally weighted investment strategy by means of bootstrap testing. We find that neither the naive allocation approach nor the advanced covariance estimators can outperform the traditional sample covariance matrix. Because this empirical result is robust to modifications of the research design (including alternative investigation periods, data frequencies, estimation window sizes, holding period lengths, weight constraint specifications, and transaction cost levels), it opposes the recurrent suggestion of the equity‐oriented literature that the sample covariance matrix should not be used for the purpose of portfolio optimization.
The repo market under Basel III: Effects of capital and liquidity regulations on market fragmentation
Authors: Gerba Eddie , Katsoulis Petros
Published: September 2024

Regulatory requirements can affect banks' ability and willingness to intermediate in financial markets. Yet, evidence on how these requirements interact to affect bank behaviour is thin. We contribute by assessing the effects of Basel III regulatory ratios on financial market fragmentation using the UK repo market as an important case study. Using panel regressions with proprietary data on repo transactions and holdings backed by gilts and lower‐quality collateral, we find affirmative evidence of a fragmentation. The leverage ratio incentivises banks to net transactions which leads to a fragmentation across prices between netted and non‐netted trades. Central bank liquidity can ease market conditions during stress and benefit banks that use it and their counterparties via reduced prices. In addition, the liquidity coverage ratio incentivises banks to increase long‐term lending backed by gilts, but reduce lending backed by lower‐quality collateral. This results in a fragmentation across maturities.
Retroperitoneoscopic bladder neck closure for continuous urinary incontinence in Fournier's gangrene
Authors: Doi Yukiko , Ochi Atsuhiko , Okamoto Yuma , Komiya Akira , Kuji Hiroshi , Suzuki Koichiro , Shiga Naoki , Abe Hirokazu
Published: September 2024

Introduction

A retroperitoneoscopic procedure for bladder neck closure has not yet been described.

Case presentation

Case 1 was a 56‐year‐old man who underwent clean intermittent catheterization for spastic paraplegia due to a thoracic spinal cord injury 37 years prior. Case 2 was an 80‐year‐old bedridden woman who underwent urethral catheterization after a femoral fracture and brain infarction 3 years prior. Both patients presented with Fournier's gangrene, and the urogenital region, including the necrotic urethra, was debrided. Although a permanent suprapubic catheter was established, postoperative wound healing was poor owing to continuous urine leakage from the urethral stump. Therefore, we performed retroperitoneoscopic bladder neck closure, and the urinary incontinence was completely resolved.

Conclusion

Retroperitoneoscopic bladder neck closure is a feasible and less invasive procedure for treating continuous urinary incontinence from the urethral stump in patients with Fournier's gangrene after surgical debridement and having a permanent suprapubic catheter.
Revisiting Luteolin Against the Mediators of Human Metastatic Colorectal Carcinoma: A Biomolecular Approach
Authors: Chakraborty Ankita , Midde Advaitha , Chakraborty Pritha , Adhikary Sourin , Kumar Simran , Arri Navpreet , Chandra Das Nabarun , Sen Gupta Parth Sarthi , Banerjee Aditi , Mukherjee Suprabhat
Published: September 2024

Metastatic colorectal carcinoma (mCRC) is one of the prevalent subtypes of human cancers and is caused by the alterations of various lifestyle and diet‐associated factors. β‐catenin, GSK‐3β, PI3K‐α, AKT1, and NF‐κB p50 are known to be the critical regulators of tumorigenesis and immunopathogenesis of mCRC. Unfortunately, current drugs have limited efficacy, side effects and can lead to chemoresistance. Therefore, searching for a nontoxic, efficacious anti‐mCRC agent is crucial and of utmost interest. The present study demonstrates the identification of a productive and nontoxic anti‐mCRC agent through a five‐targets (β‐catenin, GSK‐3β, PI3K‐α, AKT1, and p50)‐based and three‐tier (binding affinity, pharmacokinetics, and pharmacophore) screening strategy involving a series of 30 phytocompounds having a background of anti‐inflammatory/anti‐mCRC efficacy alongside 5‐fluorouracil (FU), a reference drug. Luteolin (a phyto‐flavonoid) was eventually rendered as the most potent and safe phytocompound. This inference was verified through three rounds of validation. Firstly, luteolin was found to be effective against the different mCRC cell lines (HCT‐15, HCT‐116, DLD‐1, and HT‐29) without hampering the viability of non‐tumorigenic ones (RWPE‐1). Secondly, luteolin was found to curtail the clonogenicity of CRC cells, and finally, it also disrupted the formation of colospheroids, a characteristic of metastasis. While studying the mechanistic insights, luteolin was found to inhibit β‐catenin activity (a key regulator of mCRC) through direct physical interactions, promoting its degradation by activating GSK3‐β and ceasing its activation by inactivating AKT1 and PI3K‐α. Luteolin also inhibited p50 activity, which could be useful in mitigating mCRC‐associated proinflammatory milieu. In conclusion, our study provides evidence on the efficacy of luteolin against the critical key regulators of immunopathogenesis of mCRC and recommends further studies in animal models to determine the effectiveness efficacy of this natural compound for treating mCRC in the future.
Modeling the effect of substituents on the electronically excited states of indole derivatives
Authors: Howe Jordan , Abou‐Hatab Salsabil , Matsika Spiridoula
Published: September 2024

A proper understanding of excited state properties of indole derivatives can lead to rational design of efficient fluorescent probes. The optically active and excited states of a series of substituted indoles, where a substituent was placed on position four, were calculated using equation of motion coupled cluster and time dependent density functional theory. The results indicate that most substituted indoles have a brighter second excited state corresponding to experimental absorption maxima, but a few with electron withdrawing substituents absorb more on the first excited state. Absorption on the first excited state may increase their fluorescence quantum yield, making them better probes. Electronic structure methods were found to predict the energies of the systems with electron withdrawing substituents more accurately than those with electron donating substituents. The excited states of both states correlated well with electrophilicity, similar to the experimental trends for the absorption maxima. Overall, these computational studies indicate that theory can be used to predict excited state properties of substituted indoles, when the substituent is an electron withdrawing group.
Ultrasound assessment and scoring of tendinopathy in hemophilia: Development of the Tendon Haemophilic Damage ‐ Ultrasound (THD‐US) method
Authors: Donati Danilo , Origlio Flavio , Galletti Stefano , Miceli Marco , Spinnato Paolo , Valdrè Lelia , Piscitelli Lydia , Ricci Vincenzo , Farella Giuseppina Mariagrazia , Vita Fabio , Tedeschi Roberto , Benedetti Maria Grazia
Published: September 2024

This study aimed to develop and validate the tendinopathy hemophilia detection with ultrasonography (THD‐US) protocol for assessing hemophilia‐related tendinopathy. Twenty male patients with hemophilic arthropathy underwent ultrasound evaluations of 200 tendons. The THD‐US scoring method assessed structural changes, hyperemia, and calcifications, revealing various tendon abnormalities. This protocol provides a standardized, efficient method for assessing tendinopathy in hemophilia patients, potentially improving patient management and outcomes.
A nomogram and heat map based on LASSO‐Cox regression for predicting the risk of early‐stage severe fever with thrombocytopenia syndrome patients developing into critical illness at 7‐day and 14‐day
Authors: Tong Hanwen , Wang Jun , Zhu Naisheng , Li Haopeng , Zhai Yu , Shao Binxia , Li Huiying , Xia Peng , Jiang Yunfei , Jiang Chenxiao , Liu Yun
Published: September 2024

Severe fever with thrombocytopenia syndrome (SFTS) represents an emerging infectious disease characterized by a substantial mortality risk. Early identification of patients is crucial for effective risk assessment and timely interventions. In the present study, least absolute shrinkage and selection operator (LASSO)‐Cox regression analysis was conducted to identify key risk factors associated with progression to critical illness at 7‐day and 14‐day. A nomogram was constructed and subsequently assessed for its predictive accuracy through evaluation and validation processes. The risk stratification of patients was performed using X‐tile software. The performance of this risk stratification system was assessed using the Kaplan–Meier method. Additionally, a heat map was generated to visualize the results of these analyses. A total of 262 SFTS patients were included in this study, and four predictive factors were included in the nomogram, namely viral copies, aspartate aminotransferase (AST) level, C‐reactive protein (CRP), and neurological symptoms. The AUCs for 7‐day and 14‐day were 0.802 [95% confidence interval (CI): 0.707–0.897] and 0.859 (95% CI: 0.794–0.925), respectively. The nomogram demonstrated good discrimination among low, moderate, and high‐risk groups. The heat map effectively illustrated the relationships between risk groups and predictive factors, providing valuable insights with high predictive and practical significance.