bluuebunny/crossref_metadata_2025 huggingface dataset:
NIR‐II Fluorescent Nanotheranostics with a Switchable Irradiation Mode for Immunogenic Sonodynamic Therapy
Authors: Cui Minhui , Tang Dongsheng , Zhang Hanchen , Liang Ganghao , Xu Chun , Xiao Haihua
Published: October 2024

Nanotheranostics, which integrate diagnostic and therapeutic functionalities, offer significant potential for tumor treatment. However, current nanotheranostic systems typically involve multiple molecules, each providing a singular diagnostic or therapeutic function, leading to challenges such as complex structural composition, poor targeting efficiency, lack of spatiotemporal control, and dependence on a single therapeutic modality. This study introduces NPRBOXA, a nanoparticle functionalized with surface‐bound cRGD for targeted delivery to αvβ3/αvβ5 receptors on tumor cells, achieving theranostic integration by sequentially switching its irradiation modes. Under 808 nm laser irradiation, NPRBOXA emits NIR‐II fluorescence, which aids in identifying the nanoparticle's location and fluorescence intensity, thereby determining the optimal treatment window. Following this, the irradiation mode switches to ultrasound irradiation at the optimal treatment window. Ultrasound irradiation induces NPRBOXA to generate reactive oxygen species, promoting the reduction of OXA‐IV to OXA‐II, which in turn triggers immunogenic cell death. This mechanism enables a combination of sonodynamic therapy, chemotherapy, and immunotherapy for tumor treatment. The versatile design of NPRBOXA holds promise for advancing precision oncology through enhanced therapeutic efficacy and real‐time imaging guidance.
Molecular Reconfiguration of Disordered Tellurium Oxide Transistors with Biomimetic Spectral Selectivity
Authors: Zhang Yuxuan , Wang Jingwen , Xie Pengshan , Meng You , Shao He , Jin ChenXing , Gao Boxiang , Shen Yi , Quan Quan , Li Yezhan , Wang Weijun , Li Dengji , Wu Zenghui , Li Bowen , Yip SenPo , Sun Jia , Ho Johnny C.
Published: October 2024

Reconfigurable devices with field‐effect transistor features and neuromorphic behaviors are promising for enhancing data processing capability and reducing power consumption in next‐generation semiconductor platforms. However, commonly used 2D materials for reconfigurable devices require additional modulation terminals and suffer from complex and stringent operating rules to obtain specific functionalities. Here, a p‐type disordered tellurium oxide is introduced that realizes dual‐mode reconfigurability as a logic transistor and a neuromorphic device. Due to the disordered film surface, the enhanced adsorption of oxygen molecules and laser‐induced desorption concurrently regulate the carrier concentration in the channel. The device exhibits high‐performance p‐type characteristics with a field‐effect hole mobility of 10.02 cm2 V−1 s−1 and an Ion/Ioff ratio exceeding 106 in the transistor mode. As a neuromorphic device, the vision system exhibits biomimetic bee vision, explicitly responding to the blue‐to‐ultraviolet light. Finally, in‐sensor denoising and invisible image recognition in static and dynamic scenarios are achieved.
Intrinsic Narrowband Blue Phosphorescent Materials and Their Applications in 3D Printed Self‐monitoring Microfluidic Chips
Authors: Kong Shuting , Wang Hailan , Liao Jimeng , Xiao Yuxin , Yu Tao , Huang Wei
Published: October 2024

Organic room‐temperature phosphorescent (RTP) materials, especially with narrowband emission properties, exhibit great potential for applications in display and sensing, but have been seldom reported. Herein, a rare example of the intrinsic narrowband blue RTP material is fabricated and reported. A series of indolo[3,2,1‐kl]phenothiazine derivatives, named Cphpz, 1O‐Cphpz, and 2O‐Cphpz, are designed and synthesized. Due to their relatively rigid structures, these three compounds showed deep blue narrowband emissions ranging from 396 to 434 nm with the full width at half maximum (FWHM) of 31, 26, and 31 nm, respectively. To the delight, compound 2O‐Cphpz displayed intrinsic narrowband blue RTP at 448 nm with FWHM of 36 nm and a long‐lived lifetime of 1.08 s in hydroxyethyl acrylate and acrylic acid matrix. Photophysical studies, single crystal analyses, and TD‐DFT calculations are performed to elucidate further the relationships between molecular structures and the narrowband blue RTP properties. Meanwhile, because the narrowband blue RTP is highly sensitive to humidity, a visualizing droplet path optical microfluidic chip is efficiently fabricated through the digital light processing 3D printing.This work provides a rare example and a reliable strategy to realize narrowband blue RTP and further expand their applications in self‐monitoring 3D printed structures.
Ionized Phenanthroline Derivatives Suppressing Interface Chemical Interactions with Active Layer for High‐efficiency Organic Solar Cells with Exceptional Device Stability
Authors: Hu Lin , Quan Jianwei , Li Jingbai , Li Zhendong , Lan Senmei , Yu Manjiang , Liao Xunfan , Jin Yingzhi , Yin Xinxing , Song Jiaxing , Zhou Dan , Li Zaifang , Chen Yiwang
Published: October 2024

The contact interface between the charge transport interlayer and the active layer is crucial for the non‐fullerene organic solar cells (NF OSCs) to achieve high efficiency and long‐term stability. In this study, two novel phenanthroline (Phen) derivatives, tbp‐Phen and tbp‐PhenBr, are developed as efficient cathode interfacial materials (CIMs). The larger steric hindrance substituents and the ionization of nitrogen atoms on the Phen framework jointly enable the tbp‐PhenBr CIM with a stable film morphology and immensely suppress the detrimental interface chemical interactions with the NF active layer. Consequently, tbp‐PhenBr‐based OSC achieves a higher efficiency (PCE = 16.34%) than bathocuproine (BCP)‐based control device (PCE = 13.70%) using PM6:Y6 as the active layer. More importantly, the tbp‐PhenBr‐based device maintains 80% of its initial efficiency (T80) for 3264 h in dark conditions and 220 h after being heated at 85 °C, significantly outperforming the BCP‐based device. The tbp‐PhenBr CIM also shows broad applicability across various binary and ternary active layer systems, affording a notable PCE of 19.49%. Additionally, the tbp‐PhenBr CIM can be processed via a thermal evaporation technique and the prepared devices exhibit high reproducibility. This work provides innovative insights into the molecular design of the CIMs for stable and efficient NF OSCs.
High Performance Self‐Powered p+‐GaN/n−‐ZnO/Au UV Heterojunction Phototransistor with 3D Interconnected ZnO Nanowire Network for Solar‐Blind Imaging and Optical Communication
Authors: Wang Xiujuan , Gao Shuang , Han Zhuo , Zhang Xiaodong , Chen Haoran , Xiang Kang , Ye Muyang , Qiu Junxing , Wu Chunyan , Yang Xiaoping , Zhang Tianci , Gao Qian , Xing Kun
Published: October 2024

Heterojunction phototransistor (HPT) is considered the most promising detector technology in weak ultraviolet (UV) signal detection due to its inherent internal gain through transistor action. However, achieving high‐performance self‐powered UV HPTs remains a significant challenge. In this study, a high‐performance self‐powered p+‐GaN/n−‐ZnO/Au UV HPT with ZnO serving as the floating base is cleverly designed. The device features a unique back‐to‐back configuration of the p+‐GaN/n−‐ZnO heterojunction and n−‐ZnO/Au Schottky junction, along with an ultrathin ZnO base layer of a 3D nanowire network structure. This design enables the fabricated p+‐GaN/n−‐ZnO/Au UV HPT to operate in a self‐powered mode with exceptional performance metrics. Under zero bias, the device exhibits outstanding characteristics including ultralow dark current of 1.7 × 10−13 A, remarkable Iphoto/Idark ratio of 106, fast response speed (tr = 150 µs / tf = 250 µs), high responsivity of 9.74 A W−1, and detectivity of 1.58 × 1014 Jones, representing the best result achieved for UV HPTs thus far at zero bias. Moreover, the fabricated UV HPT is successfully demonstrated in solar‐blind imaging and UV communication systems without the need for an external power supply. This work presents effective and practical design strategies for achieving high‐performance self‐powered UV HPTs.
[(5+1)−1] Cyclization of Nitroepoxides to Pyridinium 1,4‐Zwitterionic Thiolates for the Synthesis of Indolizine Derivatives
Authors: Almaani Alhajaj , Takallou Ahmad , Lotfi Nosood Yazdanbakhsh , Al‐Shidhani Sulaiman , Reza Hosseini Mohammad , Anwar Muhammad U. , Al‐Harrasi Ahmed
Published: October 2024

The synthesis of indolizine derivatives was achieved through the reaction of pyridinium 1,4‐zwitterionic thiolates with a diverse array of 2‐methyl‐2‐nitro‐3‐aryloxiranes. Subsequent investigations unveiled a synthetic route to indolizines via a stepwise [(5+1)−1] pathway, with unstable pyridothiazines serving as transient intermediates. DFT calculations elucidated that this transformation entails sequential annulation, deacylation, desulfurization, and oxidation steps.
The impact of a prehospital simulation on medical students’ resourcefulness, personal growth initiative, and uncertainty tolerance
Authors: Cole Rebekah , Pearce Elizabeth , Hildreth Amy F. , Ren Xiao , Vojta Leslie
Published: October 2024

Background

Emergency medicine (EM) physicians often practice in dynamic, high‐stress, and uncertain settings with limited resources. Although simulation has been shown to enhance various aspects of student development, its impact on medical students' personal growth initiative, resourcefulness, and tolerance of uncertainty—crucial traits for managing future crises as emergency physicians—remain unclear. The purpose of this study, therefore, was to determine a high‐fidelity prehospital simulation's impact on medical students' resourcefulness, personal growth, and tolerance of uncertainty.

Methods

We surveyed 107 fourth‐year medical students before and after a multiday, high‐fidelity prehospital simulation. The survey included items from the Intolerance of Uncertainty Scale‐12 Item Form, the Personal Growth Initiative Scale, and the Resourcefulness Skills Scale. We compared students' pre‐ and post‐simulation responses to investigate any change in their uncertainty intolerance, personal growth initiative, and resourcefulness following simulation participation.

Results

Students’ scores significantly increased following the simulation for both resourcefulness (t(106) = −6.89, p < 0.001, d = −0.67) and personal growth initiative (t(106) = −6.22, p < 0.001, d = −0.60). Effect size calculations suggest that participating in the simulation had a medium to large effect on participants’ resourcefulness and personal growth initiative. However, participants’ tolerance of uncertainty scores prior to and following the simulation did not significantly differ (t(106) = 1.66, p = 0.100, d = 0.16), indicating that the simulation had little effect on participants’ tolerance of uncertainty.

Conclusions

Our results indicate that simulation is a promising educational tool for developing students' resourcefulness and personal growth initiative so they can navigate high‐stress, low‐resource environments. Follow‐on research is needed to determine how to leverage simulation to enhance students’ uncertainty tolerance in high‐stress, low‐resource environments.
Multiyear productivity and nitrate‐nitrogen loss from corn and prairie bioenergy cropping systems
Authors: Liebman Matt , Helmers Matthew J.
Published: October 2024

Though corn (Zea mays L.) and soybean [Glycine max (L.) Merr.] are widely grown and readily accepted into commodity markets and biofuel facilities, heavy reliance on seeds of those two crops for bioenergy production has been linked to environmental degradation, including nutrient discharge to water, and to constraints on food production. Alternative biofuel feedstock systems might better address this “food–energy–environment trilemma.” Using data from a 9‐ha field experiment in Iowa, we evaluated yields from a 14‐year period for four bioenergy feedstock systems: stover harvested from corn grown with and without an unharvested rye cover crop, and prairie vegetation grown with and without fertilizer. We also assessed sub‐surface drainage flows and NO3‐N concentrations and discharges in leachate from those cropping systems. The continuous corn systems produced mean grain yields of 11.0–11.5 Mg ha−1 year−1, while also yielding about 4 Mg ha−1 year−1 of stover. Mean harvested biomass from the fertilized prairie was 83% greater than from the unfertilized prairie and was superior to stover production in the two corn treatments in 11 out of 14 years. Nitrate‐N losses in drainage water from the corn systems averaged 12–14 kg NO3‐N ha−1 year−1, whereas both the fertilized and unfertilized prairie systems almost eliminated NO3‐N loss. Cover cropping with rye reduced NO3‐N loss in only one out of 13 years and had variable effects on corn yield. Adoption of prairie‐based biofuel systems might be driven by placing perennial feedstocks on environmentally sensitive sub‐field areas and by government policies that favor perennial feedstocks over annual crops like corn.
Synthesis of N‐Phenylazo (Triazine) Derivatives of 6‐Aminouracil Using Diazonium Salt Under Catalyst‐Free Condition
Authors: Pandey Shikha , Kamal Arsala , Kumar Kushwaha Ambuj , Singh Sundaram
Published: October 2024

In the current study, for the first time, N‐phenylazo (triazine) derivatives of 6‐aminouracil compounds were produced at room temperature under catalyst‐free conditions in pyridine using an easy, efficient, and green process. The main advantages of this approach are that it doesn't require a catalyst, is inexpensive, eco‐friendly, non‐toxic, and simple to handle. This technique shows a broad range of substrate compatibility for uracil compounds and diazonium salts.
Quantum Secure Communication Based on Interferometric Teleportation
Authors: Bebrov Georgi
Published: October 2024

The paper introduces the concept of interferometric quantum teleportation. Based on this concept, a quantum secure communication (QSC) protocol, operating in a single‐photon regime is proposed. The proposed protocol is characterized with higher efficiency and data rate than its original counterpart, namely, the teleportation‐based quantum secure communication (T‐QSC). The proposal is verified to be secure. Its security relies on both quantum (polarization of qubits) and relativistic (speed of light) restrictions. The relativistic restriction is possible due to the use of an interferometric quantum channel, like the relativistic quantum key distribution.
Highly Conductive Alcohol‐Processable n‐Type Conducting Polymer Enabled by Finely Tuned Electrostatic Interactions for Green Organic Electronics
Authors: Tang Haoran , Xu Zishuo , Liang Yuanying , Cui Wei , Chen Yiheng , Jiang Qinglin , Lei Ting , Ma Yuguang , Huang Fei
Published: October 2024

Solution‐processable conducting polymers open up a new era in organic electronics, fundamentally altering the processing methods of electronic devices. P‐type conducting polymers, exemplified by aqueous solution‐processed poly(3,4‐ethylenedioxythiophene) : poly(styrenesulfonate) (PEDOT : PSS), have been successfully commercialized. However, the performance of electron‐transporting (n‐type) materials remains considerably poorer. One of the primary challenges lies in striking a balance between conductivity and solvent processability. At present, most n‐type conducting polymers necessitate toxic solvents for processing, which contradicts environmentally sustainable principles and impedes their potential for large‐scale industrial applications. Herein, we developed an alcohol‐processable high‐performance n‐type conducting polymer, poly(3,7‐dihydrobenzo[1,2‐b : 4,5‐b’]difuran‐2,6‐dione): poly(2‐ethyl‐2‐oxazoline) (PBFDO : PEOx), which utilized electrostatic interactions between PEOx and PBFDO to simultaneously achieve high conductivity and alcohol‐processability. The PBFDO : PEOx films exhibited remarkable electrical conductivity exceeding 1000 S cm−1 with outstanding stability even at temperatures up to 250 °C, establishing it as a prominent green solvent‐processed n‐type conducting polymer that rivals the most advanced p‐type counterparts. Various applications including organic thermoelectric, electrochemical transistor, and electrochromic devices were showcased, highlighting the broad potential of PBFDO : PEOx in advancing green organic electronics.
Hydrogen‐Bonded Supramolecular Network Enabled Gentle Reprogramming of Liquid Crystal Elastomer toward Evolutionary Robot
Authors: Wang Zhenxing , Si Muqing , Han Junyi , Shen Ying , Yin Guangqiang , Yin Kaiyang , Xiao Peng , Chen Tao
Published: October 2024

In nature, many organisms augment chances of survival by reprogramming their structures to evolving environment, among which sea squirts being a prime example. Such reprogramming has been demonstrated in liquid crystal elastomer (LCE) actuator assembled with heat assistance. However, the required temperature being higher than the actuation temperature limits its application. Here, we reported a hydrogen‐bonded supramolecular network LCE to construct soft modular and reprogrammable actuator by assembling with a gentle heat treatment. Leveraging the Michael addition reaction, we introduced hydrogen bonding to the LCE matrix with functionalized pyridine monomers. Experimental and molecular dynamics modeling proved the efficient dynamic hydrogen bond exchange at 60 °C, significantly lower than the actuating temperature of the LCE. This gave rise to the reversible and robust adhesion of the same collection of LCE modules capable of being built into different bilayers and performing various morphing upon a short thermal stimulation. Therefore, we demonstrated that these comparatively weak cross‐links enabled reconfiguration of the LCE actuator. With the developed hydrogen‐bonding LCEs, we built proof‐of‐concept modular reprogrammable robot, performing crawling, sailing, and microcircuit repair tasks. This bioinspired and efficient method for evolutionary LCE robot offers a viable path for further development of intelligent actuators sustainable in complex environments.
Enhancing surface properties with coconut oil/cocoa butter/chia seed/titanium dioxide: Innovations in water‐based coating technologies
Authors: Öztürk Nazlıcan , Şahin Fatma İrem , Acaralı Nil
Published: October 2024

The aim of the present study was to enhance water‐based coating technologies by using additives. The physical and chemical properties of a water‐based organic coating were improved by incorporating coconut oil, cocoa butter, chia seed, and titanium dioxide into the coating. Cocoa butter was added to enhance the hydrophobic properties of the coating. To increase its corrosion‐resistant properties, coconut oil was also included. Chia seed was added to observe its adhesion effect on the water‐based coating. Titanium dioxide, obtained as waste from a pharmaceutical company, was supplied and added to the coating to both maintain color change and improve the durability of the coating. The additives were added to the water‐based coating in different proportions ranging from 0% to 6% by weight. For the experiments in this study, Design Expert Box–Behnken method was applied by selecting three levels and four parameters. The optimal experiment was selected, and both the optimal coating and reference coating samples were analyzed. Based on the contact angle analysis results, the contact angle of the reference sample was measured to be 65.20°, while the optimum coating sample was measured to be 87.4°. According to the TG‐DTA, the optimum coating exhibited a mass loss of 37.7. It was observed that both the reference and optimum coatings had a degradation temperature of ~408°C. As a result of this study and analyzes, it was observed that the coating exhibited enhanced hydrophobic properties, increased mechanical strength, improved adhesion properties, and preserved its combustion characteristics.
Polyaniline‐Doped Textile‐Based Triboelectric Nanogenerator: Self‐Powered Device for Wearable Electronics
Authors: Amini Sebghatullah , Sagade Muktar Ahmed Rumana Farheen , Madanahalli Ankanathappa Sangamesha , Sannathammegowda Krishnaveni
Published: October 2024

The emergence of wearable electronics in contemporary lifestyles has spurred the need for smart fabrics capable of harnessing biomechanical energy. In the present study, a flexible polyaniline‐doped textile‐based triboelectric nanogenerator (PT‐TENG) is designed to harvest low‐frequency mechanical vibrations and convert them into electricity. For the device fabrication, five different textile fabrics are doped with conducting PANI, which is utilized as the tribopositive material, PVC thin film as the tribonegative material, and Al foil as electrodes. The PT‐TENG works in vertical‐contact separation mode, devised in arch structure for easy and complete contact between the working layers. Interestingly, the device featuring a PANI‐doped silk fabric generated the highest output voltage of 257.68 V and a current of 5.36 μA, respectively. Additionally, the PT‐TENG exhibits mechanical durability and electrical stability during continuous 7000 cyclic operations. Furthermore, the PT‐TENG showcases practical applications such as charging commercial capacitors, powering green LEDs and smartwatches, and as a self‐powered touch sensor. Thus, the PT‐TENG offers a facile fabrication process and robustness, highlighting its potential for sustainable energy harvesting in wearable electronics.
Genetic Analysis of Asymptomatic Antinuclear Antibody Production
Authors: Hocaoǧlu Mehmet , Casares‐Marfil Desiré , Sawalha Amr H.
Published: October 2024

Objective

Antinuclear antibodies (ANA) are detected in up to 14% of the population, and many individuals with ANA are asymptomatic. The literature on the genetic contribution to asymptomatic ANA positivity is limited. In this study, we aimed to perform a genome‐wide association study of asymptomatic ANA positivity in multiple populations.

Methods

Asymptomatic individuals who were either ANA positive or ANA negative from the All of Us Research Program were included in this study, selecting those with an ANA test performed by immunofluorescence and no evidence of autoimmune disease. Imputation was performed, and a multipopulation meta‐analysis including approximately 6 million single‐nucleotide polymorphisms (SNPs) was conducted. Genome‐wide SNP‐based heritability was estimated using the Genome‐wide Complex Trait Analysis software. A cumulative genetic risk score for lupus was constructed using previously reported genome‐wide significant loci.

Results

A total of 1,955 asymptomatic ANA positive and 3,634 asymptomatic ANA negative individuals across three populations were included. The multipopulation meta‐analysis revealed SNPs with a suggestive association (P <1 × 10−5) across 8 different loci, but no genome‐wide significant loci were identified. A gene variant upstream of HLA‐DQB1, (rs17211748, P = 1.4 × 10−6, odds ratio 0.82, 95% confidence interval 0.76–0.89), showed the most significant association. The heritability of asymptomatic ANA positivity was estimated to be 24.9%. Individuals who were asymptomatic and ANA positive did not exhibit increased cumulative genetic risk for lupus compared with individuals who were ANA negative.

Conclusion

ANA production is not associated with significant genetic risk and is primarily determined by environmental factors.

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Evidence of Site‐Specific Mucosal Autoantibody Secretion in Rheumatoid Arthritis
Authors: Derksen Veerle F. A. M. , Martinsson Klara , van Mourik Anouk G. , Wagenaar Carlijn A. , Toes René E. M. , Walrabenstein Wendy , Sjöberg Daniel , van Schaardenburg Dirkjan , Huizinga Tom W. J. , Kastbom Alf , Svärd Anna , van der Woude Diane
Published: October 2024

Objective

Anti–citrullinated protein antibodies (ACPA) have been detected in sputum and saliva, indicating that anti–modified protein antibodies (AMPA) can be produced at mucosal sites in patients with rheumatoid arthritis (RA). However, the body's largest mucosal compartment, the gut, has not yet been examined. We therefore investigated the presence of several AMPA (ACPA, anti–carbamylated protein antibodies [anti‐CarP], and anti–acetylated protein antibodies [AAPA]) at different mucosal sites, including the intestinal tract.

Methods

Paired fecal/ileal wash, saliva, and serum samples of patients with RA and healthy volunteers were collected in two independent cohorts. Data involving feces were replicated in a third cohort. In these secretions, AMPA were analyzed using in‐house enzyme‐linked immunosorbent assay with unmodified peptides as control. In fecal samples, total IgA and anti–Escherichia coli IgA were measured.

Results

ACPA, anti‐CarP, and AAPA IgA were measurable in saliva of seropositive patients with RA (prevalence 9%–40%). No AMPA could be detected in feces. IgA was present because total IgA and anti–E. coli IgA were detectable in feces of ACPA‐positive patients with RA and healthy donors. Results were confirmed in another cohort using colonoscopically collected ileal wash samples.

Conclusion

Our study shows the presence of ACPA, anti‐CarP, and AAPA IgA in saliva of ACPA‐seropositive patients with RA. However, no AMPA could be detected in feces/ileal wash samples of these patients, although our assays were able to measure other antigen‐specific antibodies. These data suggest that mucosal autoantibody secretion may occur in the oral mucosa of patients with RA, whereas no evidence could be found for this process in the lower gastrointestinal tract.
Glassy Carbon Electrodes Modified with Ru Nanoparticles Loaded in B‐Doped Imidazolium Porous Organic Polymers for Hydrogen Evolution Reaction
Authors: Ma Shasha , Chen Di , Xu Jie , Ye Zhaobin , Zhang Jianyong
Published: October 2024

Porous organic polymers (POPs) are a type of porous material composed of organic structural units connected by covalent bonds and POPs have been used as efficient electrocatalysts for hydrogen evolution reaction (HER). Herein, glassy carbon electrode (GCE) is chemically modified by B‐doped imidazolium‐based porous organic polymers loaded with Ru nanoparticles on the GCE surface. The incorporation of B in the POPs regulates the electronic structure of electrocatalysts to enhance their inherent electrocatalytic activity for HER. The optimized modified electrode GCE‐Ru/PIM‐Br2 exhibits a low overpotential of 271 mV at a current density of 10 mA cm−2 with a small Tafel slope (80 mV dec−1) in acidic solutions, and shows long‐term stability for up to 22 h. This work presents a strategy to develop B‐doped porous electrodes with loaded metal nanoparticles to strengthen the catalytic performance of electrocatalysts.
Early oncological outcomes of delayed radical prostatectomy: A prospective, international, follow‐up analysis of the COVIDSurg‐Cancer study
Authors: Nathan Arjun , Gao Chuanyu , Light Alexander , Alexander Cameron , Chan Vinson , Gallagher Kevin , Khadhouri Sinan , Byrnes Kevin G. , Ng Michael , Walters Michael , Hughes Terry , Perry Rita J. , Okoth Kelvin , Magill Laura , Pinkney Thomas , Zhang Yuhao , Blackmur James , Etchill Eric , Tang Stanley , García Escudero Damián , McNeill Alan , Narahari Krishna , Stewart Grant D. , Kasivisvanathan Veeru ,   COVIDSurg Collaborative
Published: October 2024

Objectives

The objective of this study is to compare the early oncological outcomes of delayed (>90 days) versus scheduled (≤90 days) radical prostatectomy (RP).

Patients and methods

Patients with prostate cancer due to undergo surgery between March 2020 and June 2020 who were enrolled in the COVIDSurg‐Cancer international, observational study were prospectively followed up for 1 year. Time to surgery was defined as the difference between the operation date and the multi‐disciplinary team decision to offer surgery. The primary outcome was the positive surgical margin (PSM) rate. Biochemical recurrence (BCR), upgradation and upstaging were secondary oncological outcomes. The Independent t‐test and Mann Whitney U test were used to compare means between groups and regression models and were used to investigate factors associated with the primary outcome.

Results

Four hundred seventy‐six (78.7%) patients underwent RP from 605 that were eligible. Three hundred seven (64.5%) patients underwent scheduled RP, and 169 (35.5%) underwent delayed RP. A small proportion of men (n = 35, 6.8%) did not undergo RP within the 1‐year follow‐up period. More men with high‐risk disease (72.8%) underwent scheduled RP compared to men with intermediate‐risk disease (60.2%) (p < 0.05). There was no statistically significant difference in the PSM rate between the two groups (p = 0.512). Delay in surgery was not associated with an increased PSM or BCR on univariable or multivariable analyses. There was statistically significantly greater upstaging (p < 0.05) in the delayed group but no difference in upgradation.

Conclusion

High‐risk men were prioritised for surgery during the COVID‐19 pandemic. Our prospective data support previous retrospective, cancer‐registry evidence suggesting no adverse oncological impact after delaying RP across all risk groups. Our study is limited by the short follow‐up period, and therefore, longer term conclusions cannot be drawn.
Assessing circularity and sustainability of a value chain: A systematic literature review
Authors: Esteban‐Amaro Rosa , Estelles‐Miguel Sofia , Lengua Ismael , Yannou Bernard , Bouillass Ghada
Published: October 2024

Value chains have become increasingly complex, complicating the transition to a circular economy and the pursuit of sustainable development. This transition requires assessing economic, environmental, social, and governance dimensions. We conduct a systematic literature review to evaluate whether existing methodologies can effectively assess the circularity and sustainability of value chains according to these four critical dimensions. Our work identifies three critical aspects to improve value chain evaluation: (i) circular economy requires assessment of the entire value chains, (ii) lack of stakeholder integration hinders sustainable development, and (iii) the need for multilevel and multidimensional performance assessment results in complex and incomplete methodologies. These findings imply that restructuring value creation models and value chain networks is essential to facilitate the application of simplified methodologies, thereby promoting the widespread adoption of circularity and sustainability. Addressing these gaps would the achievement of the 2030 Sustainable Development Agenda and benefit society in the long run.
Development and validation of the NCC‐BC‐A scale to assess patient‐reported outcomes for breast cancer patients in China
Authors: Ma Fei , Yan Xiaoyan , Guan Xiuwen , Liu Tianmou ,   PRO‐BC China Standards Committee
Published: October 2024

Background

The commonly used international patient‐reported outcome scales for breast cancer were developed before the advent of multiple targeted therapies and immunotherapies, rendering them potentially insufficient for current clinical practices. Therefore, it is necessary to develop a specific patient‐reported outcome scale tailored for breast cancer patients in China to optimize the management model for these patients.

Methods

A comprehensive literature search was performed in the PubMed, Embase, Wanfang, and CNKI databases to extract dimensions and items for a potential patient‐reported outcome scale. The Delphi method was used to modify, add, subtract, and adjust the language of items until the experts reached a consensus on the first draft. This draft was further refined using a cognitive test and a presurvey. The optimized scale was used for a formal survey, and the items were further analyzed and screened using metrics such as the coefficient of variation, correlation coefficient, internal item consistency, factor analysis, reliability, and validity.

Results

A total of 10,954 articles were analyzed, and 237 were used to create a pool of 277 patient‐reported outcome items. Through two rounds of Delphi expert consultation, the experts' authority coefficients were 0.739 and 0.826. After a cognitive test, several items were adjusted to enhance understanding. Further adjustments were made following a presurvey of 200 advanced breast cancer patients, resulting in a 38‐item patient‐reported outcomes scale, termed NCC‐BC‐A. In the national formal survey, 588 advanced breast cancer patients participated. Principal component analysis showed good consistency among the items and sufficient difference between the dimensions. The results were normally distributed with good variation. The Cronbach's α coefficient of the scale was 0.925 and the test–retest reliability was 0.9041.

Conclusion

The NCC‐BC‐A scale has high validity and reliability. It comprehensively considered the characteristics of systemic treatment for breast cancer, and the specific context within China. Its implementation may help clinicians to pay more attention to quality of life of breast cancer patients and to optimize the system for managing this condition.
What Do We Know About Capsicum Volatilome?
Authors: Ithaí Ángeles‐López Yesenia , José Martínez‐Cano David , Villa‐Ruano Nemesio
Published: October 2024

The Capsicum genus includes several cultivated species that release complex blends of volatile organic compounds (VOCs) associated with their unique aroma. These VOCs are essential info‐chemicals in ecological interactions. In this review, we describe how the volatilomic profiling naturally varies based on specific plant organs and genotypes as well as how non‐beneficial organisms affect VOCs biosynthesis and accumulation in pepper plants. Also, we show evidence about VOCs variation under the pressure of different abiotic factors such as water stress, soil type and nutrient availability. The contribution of specific metabolic pathways and gene expression related to the biosynthesis of particular VOCs is addressed. We highlighted the utility of VOCs as chemical markers for quality control in the food industry, breeding programs to generate resistant plants and to improve aroma innovation. Herein we present a database containing 2734 VOCs, revealing 113 as the basic core of the volatilome from five Capsicum species.
Degradation Polysaccharides from Benincasa hispida var. chieh‐qua How: Unveiling Bioactive Properties of Degraded Compounds
Authors: Sheng Xin‐Yuan , Zhang Hai‐Jiang , Chen Xin‐Juan , Wang Kui‐Wu
Published: October 2024

This study reported an effective method for the degradation of Chieh‐qua (Benincasa hispida var. Chieh‐qua How) polysaccharides (BHCP) by a hydrogen peroxide‐ascorbic acid oxidation (H2O2‐VC) system. The degradation conditions were optimized using a Box‐Behnken response surface design as concentration of H2O2‐VC 19.5 mM, degradation temperature 46.4 °C and degradation time 1.0 h. The average molecular weight was decreased and total sugar content was raised of the degraded polysaccharide (DBHCP). Two refined degraded polysaccharides (DBHCP‐1, DBHCP‐2) were purified and prepared, and their structures were analyzed by chemical and spectral analysis. The in vitro experiments showed that degraded polysaccharides (DBHCP and DBHCP‐1) have better antioxidant and anti‐tyrosinase activity than natural polysaccharide BHCP. These findings support the potential application of Chieh‐qua polysaccharides in the food and medical industries.
A recurrent typical angina pectoris without any finding in coronary angiography: Microvascular angina
Authors: Taheri Homa , Taheri Maryam , Ebrahimi Pouya , Soltani Parnian , Zadeh Amin Zaki , Anafje Mohsen
Published: October 2024

Key Clinical Message

Microvascular angina (MVA) can present with recurrent chest pain and normal coronary angiography. Recognizing MVA is crucial as it significantly impacts patient morbidity and mortality. Early diagnosis and management with antianginal medications are essential for improving outcomes and quality of life.

Cardiovascular diseases are still the main cause of death in many parts of the world. Chest pain and dyspnea are always concerning due to the implications of cardiovascular disease. However, in patients with the involvement of the small coronary vessels (Microvascular Angina), symptoms might be recurrent and persistent despite the presence of normal coronary vessel evaluations. A 45‐year‐old man with a 25‐year smoking history presented with recurrent chest pain, especially during physical activity, and mild shortness of breath. He was admitted, and a coronary angiography the next day appeared normal. However, a cardiac PET scan revealed the involvement of small coronary vessels not visible on angiography. The Patient was a 45‐year‐old man who presented with recurrent chest pain, more prominent during physical activity. He also had mild shortness of breath. The patient was admitted, and the next day, he underwent normal coronary angiography. The cardiac positron emission tomography (PET scan) showed the involvement of small coronary vessels that were not obvious on angiography.
Hypocalcemia‐induced seizures in a peritoneal dialysis (PD) patient: A case report
Authors: Taha Mohammed , Azhary Ayman , Ahmed Abdallah Elssir , Abdelbagi Abubakar , Hamida Mohammed Elfatih , Ournasseir Mohammed Elfatih Hussein
Published: October 2024

Key Clinical Message

A thorough evaluation is necessary for seizures caused by hypocalcemia, both during the patient's presentation and following their recovery from the postictal seizure episode. This is because the underlying cause of hypocalcemia must be ruled out in order to ensure the best possible clinical outcome from calcium and vitamin D therapy.

Patients with multiple systemic issues, including neurological involvement and seizure development, are not uncommon among nephrologists. Both the central and peripheral neural systems can be impacted by kidney disease. The main symptoms are myopathy, cranial or peripheral neuropathy, cognitive impairment, and seizures. A 22‐year‐old female with an unusual medical history who had been known to have end‐stage kidney disease (ESKD) for a year and regularly had CAPD (continuous ambulatory peritoneal dialysis) suffered from two episodes of tonic‐colonic seizures 2 weeks apart. On physical examination, symptoms of tongue biting, decreased vision in the left eye, and mild bilateral pulmonary air entry were notable. Upon examination, there was evidence of severe hypocalcemia, hyponatremia, a high renal profile (urea and creatinine), anemia, and a severe vitamin D deficiency. Her peritoneal dialysis (PD) prescription was reviewed, her seizures ceased, and she was released from the hospital after the hypocalcemia was treated with intravenous calcium and high doses of vitamin D. The issue of hypocalcemic seizures should be carefully evaluated both at the presentation and after the patient recovers from the postictal stage. By following this, seizure episodes can be prevented with good success if patients strictly adhere to the medication for which they are responsible.
Targeted and Untargeted Amine Metabolite Quantitation in Single Cells with Isobaric Multiplexing
Authors: Heininen Juho , Movahedi Parisa , Kotiaho Tapio , Kostiainen Risto , Pahikkala Tapio , Teppo Jaakko
Published: October 2024

We developed a single cell amine analysis approach utilizing isobarically multiplexed samples of 6 individual cells along with analyte abundant carrier. This methodology was applied for absolute quantitation of amino acids and untargeted relative quantitation of amines in a total of 108 individual cells using nanoflow LC with high‐resolution mass spectrometry. Together with individually determined cell sizes, this provides accessible quantification of intracellular amino acid concentrations within individual cells. The targeted method was partially validated for 10 amino acids with limits of detection in low attomoles, linear calibration range covering analyte amounts typically from 30 amol to 120 fmol, and correlation coefficients (R) above 0.99. This was applied with cell sizes recorded during dispensing to determine millimolar intracellular amino acid concentrations. The untargeted approach yielded 249 features that were detected in at least 25 % of the single cells, providing modest cell type separation on principal component analysis. Using Greedy forward selection with regularized least squares, a sub‐selection of 100 features explaining most of the difference was determined. These features were annotated using MS2 from analyte standards and accurate mass with library search. The approach provides accessible, sensitive, and high‐throughput method with the potential to be expanded also to other forms of ultrasensitive analysis.
Recent Advances in Methodologies for Radical‐Mechanistic Borylation†
Authors: Lian Chang , Zhang Jianning , Qiu Di , Mo Fanyang
Published: October 2024

Comprehensive Summary

We reviewed works on radical borylation reactions since 2020 from two aspects. 1. Borylation from alkyl or aryl radicals: This approach involves the generation of alkyl or aryl radicals from various precursors such as halides and carboxylic acids, followed by their reaction with diboron reagents to form boron esters. 2. Borylation from boron‐centered radicals: This approach involves generating boron‐centered radicals, which then react with substrates to achieve borylation.

Key Scientists
Ytterbium‐Catalyzed Tandem Diels–Alder/Claisen Rearrangement/Decarboxylation of Hetero‐Allenes for the Synthesis of Diarylmethanes
Authors: Chen Bin , Zhong Shan , Zhan Huilin , Han Zhangyu , Sun Jianwei , Huang Hai
Published: October 2024

Comprehensive Summary

A tandem Diels–Alder reaction/Claisen rearrangement/decarboxylation strategy of N‐allenamides (or aryloxyallenes) with 3‐alkoxycarbonyl‐2‐pyrones has been developed for the efficient synthesis of diarylmethanes with moderate to good yields. The reaction exhibits good functional group tolerance and can be applied to late‐stage modifications of known drug molecules. Mechanistic studies indicate that the ester group at the 3‐position of 2‐pyrones is essential, and the initial Diels–Alder reaction between the 2‐pyrones and the proximal C=C bond of the N‐allenamides (or aryloxyallenes) is crucial for the success of the reaction.
FSscore: A Personalized Machine Learning‐Based Synthetic Feasibility Score
Authors: Neeser Rebecca M. , Correia Bruno , Schwaller Philippe
Published: October 2024

Determining whether a molecule can be synthesized is crucial in chemistry and drug discovery, as it guides experimental prioritization and molecule ranking in de novo design tasks. Existing scoring approaches to assess synthetic feasibility struggle to extrapolate to new chemical spaces or fail to discriminate based on subtle differences such as chirality. This work addresses these limitations by introducing the Focused Synthesizability score (FSscore), which uses machine learning to rank structures based on their relative ease of synthesis. First, a baseline trained on an extensive set of reactant‐product pairs is established, which is then refined with expert human feedback tailored to specific chemical spaces. This targeted fine‐tuning improves performance on these chemical scopes, enabling more accurate differentiation between molecules that are hard and easy to synthesize. The FSscore showcases how a human‐in‐the‐loop framework can be utilized to optimize the assessment of synthetic feasibility for various chemical applications.
Evaluating the Time Interval Between Symptoms Onset, Diagnosis, and Therapeutic Intervention in Lung Cancer: A Cross‐Sectional Study in Southern Iran
Authors: Salehi Alireza , Rezvani Alireza , Fallahi Mohammad Javad , Gholamabbas Ghazal , Moayedfar Maryam
Published: October 2024

Background and Aim

Delay in diagnosis and treatment of lung cancer is thought to be a major cause of its poor outcomes. We evaluated the delays within the presentation to the initiation of diagnostic and therapeutic interventions amongst lung cancer patients in Southern Iran.

Methods

This cross‐sectional study was conducted from March 2019 to March 2021. The data collected through interview included socio‐demographic, medical and clinical findings, and the time intervals needed to visit physician, refer to specialist, request diagnostic procedures, reach diagnosis of lung cancer, and hospitalization.

Results

Eighty‐nine patients (58 males and 31 females) with a mean age of 61.01 ± 12.25 years were included. The median time of symptom presentation and first physician visit interval was 25 days. Sixty‐five days were spent for requesting, performing, and evaluating the diagnostic procedures. The median interval between diagnosis and initiation of treatment was 16 days. Totally, it took an average of 122 days from the presentation to the definite diagnosis of lung cancer. Patient‐, diagnosis‐, and treatment‐related delays were not significantly correlated with any of the demographic, socioeconomic, and clinical (disease stage, symptom) variables, as well as the diagnosis tool and the first physician who visited the patient (p > 0.05).

Conclusions

There was a significant delay but relatively similar to other countries in the diagnosis and treatment of lung cancer patients in Southern Iran. The largest portion of delay could be attributed to the raising clinical suspicion in the physicians, referral for diagnostic assessments, and the diagnosis process.
Building Confidence in Physiologically Based Pharmacokinetic Modeling of CYP3A Induction Mediated by Rifampin: An Industry Perspective
Authors: Reddy Micaela B. , Cabalu Tamara D. , de Zwart Loeckie , Ramsden Diane , Dowty Martin E. , Taskar Kunal S. , Badée Justine , Bolleddula Jayaprakasam , Boulu Laurent , Fu Qiang , Kotsuma Masakatsu , Leblanc Alix F. , Lewis Gareth , Liang Guiqing , Parrott Neil , Pilla Reddy Venkatesh , Prakash Chandra , Shah Kushal , Umehara Kenichi , Mukherjee Dwaipayan , Rehmel Jessica , Hariparsad Niresh
Published: October 2024

Physiologically‐based pharmacokinetic (PBPK) modeling offers a viable approach to predict induction drug–drug interactions (DDIs) with the potential to streamline or reduce clinical trial burden if predictions can be made with sufficient confidence. In the current work, the ability to predict the effect of rifampin, a well‐characterized strong CYP3A4 inducer, on 20 CYP3A probes with publicly available PBPK models (often developed using a workflow with optimization following a strong inhibitor DDI study to gain confidence in fraction metabolized by CYP3A4, fm,CYP3A4, and fraction available after intestinal metabolism, Fg), was assessed. Substrates with a range of fm,CYP3A4 (0.086–1.0), Fg (0.11–1.0) and hepatic availability (0.09–0.96) were included. Predictions were most often accurate for compounds that are not P‐gp substrates or that are P‐gp substrates but that have high permeability. Case studies for three challenging DDI predictions (i.e., for eliglustat, tofacitinib, and ribociclib) are presented. Along with parameter sensitivity analysis to understand key parameters impacting DDI simulations, alternative model structures should be considered, for example, a mechanistic absorption model instead of a first‐order absorption model might be more appropriate for a P‐gp substrate with low permeability. Any mechanisms pertinent to the CYP3A substrate that rifampin might impact (e.g., induction of other enzymes or P‐gp) should be considered for inclusion in the model. PBPK modeling was shown to be an effective tool to predict induction DDIs with rifampin for CYP3A substrates with limited mechanistic complications, increasing confidence in the rifampin model. While this analysis focused on rifampin, the learnings may apply to other inducers.