bluuebunny/crossref_metadata_2025 huggingface dataset:
Photochemical Control of Network Topology in PEG Hydrogels
Authors: Kirkpatrick Bruce E. , Hach Grace K. , Nelson Benjamin R. , Skillin Nathaniel P. , Lee Joshua S. , Hibbard Lea Pearl , Dhand Abhishek P. , Grotheer Henry S. , Miksch Connor E. , Salazar Violeta , Hebner Tayler S. , Keyser Sean P. , Kamps Joshua T. , Sinha Jasmine , Macdougall Laura J. , Fairbanks Benjamin D. , Burdick Jason A. , White Timothy J. , Bowman Christopher N. , Anseth Kristi S.
Published: September 2024

Hydrogels are often synthesized through photoinitiated step‐, chain‐, and mixed‐mode polymerizations, generating diverse network topologies and resultant material properties that depend on the underlying network connectivity. While many photocrosslinking reactions are available, few afford controllable connectivity of the hydrogel network. Herein, a versatile photochemical strategy is introduced for tuning the structure of poly(ethylene glycol) (PEG) hydrogels using macromolecular monomers functionalized with maleimide and styrene moieties. Hydrogels are prepared along a gradient of topologies by varying the ratio of step‐growth (maleimide dimerization) to chain‐growth (maleimide‐styrene alternating copolymerization) network‐forming reactions. The initial PEG content and final network physical properties (e.g., modulus, swelling, diffusivity) are tailored in an independent manner, highlighting configurable gel mechanics and reactivity. These photochemical reactions allow high‐fidelity photopatterning and 3D printing and are compatible with 2D and 3D cell culture. Ultimately, this photopolymer chemistry allows facile control over network connectivity to achieve adjustable material properties for broad applications.
Sustainable Nanofibril Interfaces for Strain‐Resilient and Multimodal Porous Bioelectronics
Authors: Zhao Ganggang , Chen Zehua , Wang Shaoyun , Chen Sicheng , Zhang Feng , Andrabi Syed Muntazir , Xu Yadong , Ouyang Qunle , Rosas Milton Eric Busquets , Qian Xiaoyan , Xie Jingwei , Yan Zheng
Published: September 2024

Porous soft bioelectronics have attracted significant attention due to their high breathability, long‐term biocompatibility, and other unique features inaccessible in nonporous counterparts. However, fabricating high‐quality multimodal bioelectronic components that operate stably under strain on porous substrates, along with integrating microfluidics for sweat management, remains challenging. In this study, cellulose nanofibrils (CNF) are explored, biomass‐derived sustainable biomaterials, as nanofibril interfaces with unprecedented interfacial robustness to enable high‐quality printing of strain‐resilient bioelectronics on porous substrates by reducing surface roughness and creating mechanical heterogeneity. Also, CNF‐based microfluidics can provide continuous sweat collection and refreshment, crucial for accurate biochemical sensing. Building upon these advancements, a multimodal porous wearable bioelectronic system is further developed capable of simultaneously detecting electrocardiograms and glucose and beta‐hydroxybutyrate in sweat for monitoring energy metabolism and consumption. This work introduces novel strategies for fabricating high‐quality, strain‐resilient porous bioelectronics with customizable multimodalities to meet arising personalized healthcare needs.
Achieve Full‐Color Emission in Multiple States through Reversible B←N Bond Formation and Multiple Configuration Transitions of a Single Fluorophore
Authors: Sun Yitong , Cai Xueqi , He Wenjie , Ji Xinyu , Zheng Liyan , Shi Yonggang , Cao Qiue
Published: September 2024

Multifunctional molecular switches have attracted much attention because of their unique stimulus response behavior and advanced applications. However, precise regulation of the structure for property enrichment is still a great challenge. Herein, the first case of a single‐molecule switch BN‐S with multiple structurally tunable and full‐color fluorescent properties is reported. Interestingly, BN‐S exhibits a butterfly‐like “metamorphosis” crystal growth process accompanied by full‐color fluorescence emission (including white light, CIE = 0.33, 0.33; 456 nm → 610 nm). It is shown that this is related to the reversible B←N bonding and the tunability of the spatial structure of the BN‐S. Thus, BN‐S exhibits superior multicolor tunability in different states (solid, liquid, and film), and its applications in white‐light optical light emitting diodes (OLEDs) and multicolor fluorescent inks also show great promise. This will provide a new strategy for designing and synthesizing the development of multifunctional molecular switching materials and enriching the variety of organoboron luminescent materials.
A New Strategy to Inhibit Scar Formation by Accelerating Normal Healing Using Silicate Bioactive Materials
Authors: Zhang Zhaowenbin , Fan Chen , Xu Qing , Guo Feng , Li Wenbo , Zeng Zhen , Xu Yuze , Yu Jing , Ge Hongping , Yang Chen , Chang Jiang
Published: September 2024

Inspired by the scar‐free wound healing in infants, an anti‐scar strategy is proposed by accelerating wound healing using silicate bioactive materials. Bioglass/alginate composite hydrogels are applied, which significantly inhibit scar formation in rabbit ear scar models. The underlining mechanisms include stimulation of Integrin Subunit Alpha 2 expression in dermal fibroblasts to accelerate wound healing, and induction of apoptosis of hypertrophic scar fibroblasts by directly stimulating the N‐Acylsphingosine Amidohydrolase 2 expression in hypertrophic scar fibroblasts, and indirectly upregulating the secretion of Cathepsin K in dermal fibroblasts. Considering specific functions of the bioactive silicate materials, two scar treatment regimes are tested. For severe scars, a regenerative intervention is applied by surgical removal of the scar followed by the treatment with bioactive hydrogels to reduce the formation of scars by activating dermal fibroblasts. For mild scars, the bioactive dressing is applied on the formed scar and reduces scar by inducing scar fibroblasts apoptosis.
Alfalfa potassium and phosphorus uptake and use efficiencies as impacted by irrigation technology, deficit irrigation, and alfalfa cultivar
Authors: Boren Dakota , Sullivan Tina , Crookston Bradley S. , Yost Matt , Cardon Grant , Creech Joseph
Published: September 2024

As competition for limited water resources in the western United States and other arid and semiarid regions intensifies, there is a need to provide alfalfa (Medicago sativa) growers with knowledge of how water‐optimizing practices impact alfalfa nutrient use. The objective of this research was to evaluate how three water management strategies, and their interactions, influence alfalfa K and P concentration, uptake, uptake efficiency, and internal use efficiency. Alfalfa cultivars, deficit irrigation, and irrigation technologies were tested at two sites in Utah during 2020–2021. A single drought‐tolerant (DT) cultivar (‘Ladak II’) was compared to a conventional alfalfa cultivar specific to each location. Four irrigation rates (100%, uniform reductions of 25% and 50%, and a targeted reduction of ∼50%) were nested within five pivot irrigation technologies. Few alfalfa K and P nutrient dynamics responded to the interactions of cultivar and rate or technology. Nutrient responses to the irrigation technologies were strongly associated with the technology effect on alfalfa yield such that uptake efficiency was sometimes greater with low‐elevation sprinkler technologies. The K and P responses to deficit irrigation were most pronounced at the uniform or targeted 50% irrigation rate. Alfalfa cultivar had the least impact on alfalfa K and P dynamics, and the DT cultivar never improved uptake or efficiencies. These results indicate that few adjustments in K and P management may be needed with the three water optimization approaches evaluated in this study. The most notable is that K and P fertilizer input can likely be reduced with severe deficit irrigation.
Improvements in maize N recommendations decreased carbon dioxide equivalence without sacrificing yield
Authors: Bhattarai Dwarika , Clay Sharon A. , Nleya Thandiwe , Clark Jason D. , Clay David E.
Published: September 2024

Globally, agricultural scientists are challenged with creating, testing, and validating climate‐smart nutrient strategies that reduce greenhouse gas emissions while increasing food security. This study determined maize (Zea mays L.) N recommendations and bias for N‐rate studies conducted in South Dakota using models created for western Minnesota, Iowa, Eastern North Dakota, Nebraska, and South Dakota. From 2019 to 2021, 16 N rate studies were conducted in long‐term no‐tillage (>6 years) fields located in South Dakota. In the randomized block replicated study, the soils were mollisols that were derived in a semi‐arid frigid environment. The economic optimum N rates were calculated using four fertilizer‐to‐maize grain price ratios (4.11, 5.48, 6.85, and 8.23 [$ (kg N)−1] [$ (kg grain)−1]−1). Analysis showed that reducing the yield goal coefficient used in the South Dakota model from 21.4 to 17.9 kg N (Mg grain)−1 reduced the recommended N rate but did not reduce yield. The reduced yield goal coefficient that considered the fertilizer‐to‐maize price ratio also reduced model root mean square error (RMSE), bias, and the estimated partial carbon dioxide equivalence (CO2e) by at least 18%. Nitrogen recommendation models developed for western Minnesota, Iowa, and South Dakota had similar RMSE, bias, and fertilizer recommendations, and adjusting the recommendation based on expected fertilizer cost and maize selling price improved accuracy. This study suggests that yield was not sacrificed by reducing the coefficients from 21.4 to 17.9 kg N (Mg grain)−1 and that recommendations are improved by considering the fertilizer‐to‐maize grain price ratio.
Effect of cotton seed size and seeding density on cotton growth, development, and yield
Authors: Hall Steven , Pieralisi Brian , Dodds Darrin , Raper Tyson , Crow Whitney , Catchot Angus , Irby John , Sharma Ramandeep Kumar
Published: September 2024

Interest in cotton seed size and seeding density exists due to increased seeding cost and overall decreased seed size of cotton varieties. An experiment was conducted in 2019 and 2020 in Jackson, TN, Starkville, MS, and Brooksville, MS, to determine the impact of seed size, seeding density, and variety on cotton plant development and yield. Early‐season seedling vigor was impacted by seeding density and seed size. Larger seeds and higher seeding densities produced the greatest seedling vigor. Fresh weight biomass was also impacted by seed size, as larger seed produced greater fresh and dry cotton plant biomass when pooled over seeding density and variety. The greatest seed cotton yields were obtained from planting larger seed, higher seeding densities, and from ‘DP 1646 B2XF’. Cotton variety and seeding density influenced financial returns and fiber quality. ‘NexGen 3406 B2XF’ planted at 148,200 seeds ha−1 resulted in the lowest micronaire. Net returns were not influenced by seed size or seeding density; therefore, depending on seed costs, increasing seeding densities may not be beneficial.
Parenting Stress Index in Caregivers of Individuals With Noonan Syndrome
Authors: Perri Lucrezia , Viscogliosi Germana , Trevisan Valentina , Brogna Claudia , Chieffo Daniela Pia Rosaria , Contaldo Ilaria , Alfieri Paolo , Lentini Nicolo’ , Pastorino Roberta , Zampino Giuseppe , Leoni Chiara
Published: September 2024

Medical professionals frequently underestimate stress level of parents/caregivers of patients with rare disorders as RASopathies, the latter might experience elevated stress levels, with their own health frequently overlooked despite significant responsibilities and hurdles encountered. The aim of this study is to assess the stress experienced by parents of individuals with Noonan syndrome and related conditions. Forty‐eight parents (20 fathers; 28 mothers), among the 31 recruited families, completed the Italian version of the Parenting Stress Index–Short Form. Our study shows abnormally elevated scores (≥ 85° percentile) in 35.4% of parents. Data retrieved from subscales reveal a perception of a difficult child in 25% of cases, a dysfunctional parental‐child interaction in 20.8%, a general parental distress in 10.4% of cases, and an elevated overall stress in 18.8% of parents. Questionnaires as the Parenting Stress Index–Short Form are valuable tools to evaluate stress in parents/caregivers of children with RASopathies. Evaluation by professionals is fundamental to support parents and caregivers in managing stressors and to enhance their quality of life and relationships. To prevent stress escalation and parents' burnout, an early assessment to tailor a timely treatment should be introduced as soon as possible as good clinical practice.
Causal Relationship Between Autism Spectrum Disorder and Inflammatory Bowel Disease: A Bidirectional Mendelian Randomization Study
Authors: Li Weilin , He Xiaoyu , Tan Chao , Zhang Tao
Published: October 2024

Patients with autism spectrum disorder (ASD) are often accompanied by inflammatory bowel disease (IBD) in observational research; however, the potential causal link between the two conditions remains unknown. In this study, we used a two‐sample bidirectional Mendelian randomization (MR) approach to assess the causal relationship between ASD and IBD and its main subtypes, Crohn's disease (CD), and ulcerative colitis (UC). Independent genetic instruments from a genome‐wide association study (GWAS) for IBD (25,042 cases and 34,915 controls) were used to investigate the association of IBD with ASD data obtained from the PGC and the iPSYCH consortia (N = 46,351). The primary analysis employed the random effects inverse variance weighting (IVW) method. Horizontal pleiotropy was detected using the MR Egger regression and the MR‐pleiotropy residual sum and outlier (MR‐PRESSO) analysis while heterogeneity was detected using Cochran's Q. The IVW method indicated a positive causal relationship of IBD with ASD (odds ratio (OR) = 1.028, 95% confidence interval (CI) = 1.001–1.056, p = 0.042). In subtype analyses, CD was positively related to ASD (OR = 1.036; 95% CI = 1.004–1.069; p = 0.02); however, UC showed no relationship (OR = 1.021; 95% CI = 0.999–1.044; p = 0.065). In contrast, no evidence of a causal relationship between ASD and IBD or its subtypes (p > 0.05) was found. Our findings provided evidence in support of potential causal associations between IBD/CD and ASD.
Development of a FUT8 Inhibitor with Cellular Inhibitory Properties
Authors: Manabe Yoshiyuki , Takebe Tomoyuki , Kasahara Satomi , Hizume Koki , Kabayama Kazuya , Kamada Yoshihiro , Asakura Akiko , Shinzaki Shinichiro , Takamatsu Shinji , Miyoshi Eiji , García‐García Ana , Vakhrushev Sergey Y. , Hurtado‐Guerrero Ramón , Fukase Koichi
Published: September 2024

Core fucosylation is catalyzed by α‐1,6‐fucosyltransferase (FUT8), which fucosylates the innermost GlcNAc of N‐glycans. Given the association of FUT8 with various diseases, including cancer, selective FUT8 inhibitors applicable to in vivo or cell‐based systems are highly sought‐after. Herein, we report the discovery of a compound that selectively inhibits FUT8 in cell‐based assays. High‐throughput screening revealed a FUT8‐inhibiting pharmacophore, and further structural optimization yielded an inhibitor with a KD value of 49 nM. Notably, this binding occurs only in the presence of GDP (a product of the enzymatic reaction catalyzed by FUT8). Mechanistic studies suggested that this inhibitor generates a highly reactive naphthoquinone methide derivative at the binding site in FUT8, which subsequently reacts with FUT8. Furthermore, prodrug derivatization of this inhibitor improved its stability, enabling suppression of core fucose expression and subsequent EGFR and T‐cell signaling in cell‐based assays, paving the way for the development of drugs targeting core fucosylation.
Designing a Refined Multi‐Structural Polymer Electrolyte Framework for Highly Stable Lithium‐Metal Batteries
Authors: Ma Weiting , Cui Xiurui , Chen Yong , Wan Shuang , Zhao Shunshun , Gong Jiajun , Wang Guoxiu , Chen Shimou
Published: September 2024

Rational structural designs of solid polymer electrolytes featuring rich interface‐phase morphologies can improve electrolyte connection and rapid ion transport. However, these rigid interfacial structures commonly result in diminished or entirely inert ionic conductivity within their bulk phase, compromising overall electrolyte performance. Herein, a multi‐component ion‐conductive electrolyte was successfully designed based on a refined multi‐structural polymer electrolyte (RMSPE) framework with uniform Li+ solvation chemistry and rapid Li+ transporting kinetics. The RMSPE framework is constructed via polymerization‐induced phase separation based on a rational combination of lithiophilic components and rigid/flexible chain units with significant hydrophobic/hydrophilic contrasts. Further refined by coating a robust polymer network, this all‐organic design endows a homogeneous micro‐nano porous structure, providing a novel framework favorable for rapid ion transport in both its soft interfacial and bulk phases. The RMSPE exhibited excellent ion conductivity of 1.91 mS cm−1 at room temperature and a high Li+ transference number of 0.7. Assembled symmetrical Li cells realized stable cycling for over 2400 h at 3.0 mA cm−2. LiFePO4 full batteries demonstrated a long lifespan of 3300 cycles with a capacity retention of 93.5 % and stable cycling performance at −35 °C. This innovative design concept offers a promising perspective for achieving high‐performance polymer‐based Li metal batteries.
Non‐Ionic Fluorosurfactants for Droplet‐Based in vivo Applications
Authors: van de Wouw Heidi L. , Yen Shuo‐Ting , Valet Manon , Garcia Joseph A. , Gomez Carlos O. , Vian Antoine , Liu Yucen , Pollock Jennifer , Pospíšil Petr , Campàs Otger , Sletten Ellen M.
Published: September 2024

Fluorocarbon oils are uniquely suited for many biomedical applications due to their inert, bioorthogonal properties. In order to interface fluorocarbon oils with biological systems, non‐ionic fluorosurfactants are necessary. However, there is a paucity of non‐ionic fluorosurfactants with low interfacial tension (IFT) to stabilize fluorocarbon phases in aqueous environments (such as oil‐in‐water emulsions). We developed non‐ionic fluorosurfactants composed of a polyethylene glycol (PEG) segment covalently bonded to a flexible perfluoropolyether (PFPE) segment that confer low IFTs between a fluorocarbon oil (HFE‐7700) and water. The synthesis of a panel of surfactants spanning a molecular weight range of 0.64–66 kDa with various hydrophilic‐lipophilic balances allowed for identification of minimal IFTs, ranging from 1.4 to 17.8 mN m−1. The majority of these custom fluorosurfactants display poor solubility in water, allowing their co‐introduction with fluorocarbon oils and minimal leaching. We applied the PEG5PFPE1 surfactant for mechanical force measurements in zebrafish, enabling exceptional sensitivity.
Symmetrical 2,7‐disubstituted 9H‐fluoren‐9‐one as a novel and promising scaffold for selective targeting of SIRT2
Authors: Kaya Selen Gozde , Eren Gokcen , Massarotti Alberto , Gunindi Habibe Beyza , Bakar‐Ates Filiz , Ozkan Erva
Published: September 2024

Sirtuin 2 (SIRT2) belongs to the family of silent information regulators (sirtuins), which comprises nicotinamide adenine dinucleotide (NAD+)‐dependent protein lysine deacetylases. With a distribution across numerous tissues and organs of the human body, SIRT2 is involved in a wide range of physiological and pathological processes, such as regulating the cell cycle, energy metabolism, DNA repair, and tumorigenesis. Aberrant expression of SIRT2 has been closely associated with particular etiologies of human diseases, positioning SIRT2 as a promising therapeutic target. Herein, we detail the design overview and findings of novel symmetrical 2,7‐disubstituted 9H‐fluoren‐9‐one derivatives targeting SIRT2. SG3 displayed the most potent SIRT2‐selective inhibitory profile, with an IC50 value of 1.95 , and reduced the cell viability of human breast cancer MCF‐7 cells accompanied by hyperacetylation of α‐tubulin. Finally, molecular docking, molecular dynamics simulations, and binding free energy calculations using molecular mechanics/generalized born surface area method were performed to verify the binding ability of SG3 to SIRT2. Taken together, these results could enhance our understanding of the structural elements necessary for inhibiting SIRT2 and shed light on the mechanism of inhibition.
Diurnal asymmetry of surface albedo in a semi‐arid grassland over the China's Loess Plateau
Authors: Zhu Di , Bi Jianrong , Wang Xiting , Meng Zhaozhao , Shi Jinsen , Li Oufan
Published: September 2024

In current land surface models or satellite remote sensing retrievals, clear‐sky surface albedo (α) is usually assumed to be symmetrical and relies only on the solar elevation angle (SEA). Based on 1‐min high‐resolution measurements of surface radiation fluxes, this study demonstrated that the diurnal variations of clear‐sky surface albedo exhibited a significant asymmetrical pattern in both summer and winter seasons over a semi‐arid grassland of the China's Loess Plateau. The results indicated that α values in the morning were generally larger than those in the afternoon at the same SEA, and diurnal asymmetry of surface albedo was distinctly prominent with SEA <40° in summer (before 9:30 a.m.) or SEA <20° in winter (before 10:00 am), and tended to diminish at midday. The averaged morning/afternoon albedo differences under sunny days were 0.05 (30.4%) and 0.09 (37.8%) in summer and winter seasons, respectively. Air relative humidity was positively correlated with the diurnal asymmetry of surface albedo, ascribed to probable formation of dew in the morning. Depression of the dew point was negatively linked to the morning/afternoon albedo differences, which was attributed to the strong scattering of incident sunlight by dewdrops could enhance the morning surface albedo. Such diurnal asymmetry of surface albedo should be included in the parameterization scheme of mesoscale and region‐scale climate models in the semi‐arid areas of China's Loess Plateau.
Phytochemical Profiling and Bioactive Properties of Essential Oils from Endemic Palestinian Satureja thymbrifolia
Authors: Jaradat Nidal , Hawash Mohammed , Al‐Maharik Nawaf , Qadi Mohammad
Published: October 2024

Despite several studies on the Satureja L. genus, the chemical composition and biological activities of the traditional medicinal plant Satureja thymbrifolia (White Thyme), a Palestinian endemic species, are still unknown. It grows in arid regions and is used by Bedouins as a traditional medicinal herb. This study aimed to investigate S. thymbrifolia essential oils (EOs), mainly from its phytochemical pattern and biological properties. The GC‐MS study identified p‐cymene (48.53 %) and thymol (23.27 %) as the leading EOs components. Compared to Trolox, the EOs showed potential anti‐DPPH free radical activity and had broad‐spectrum antimicrobial potentials, with MIC values ranging from 0.13±0.05 to 25±0.00 μL/mL. They were most effective against Candida albicans species. The S. thymbrifolia EOs most effectively eliminated cancer cells when tested against CaCo‐2 and HeLa cell lines (IC50 values of 192.15±2.47 and 194.80±1.87 μg/mL, respectively). The present investigation is the first documented study of S. thymbrifolia EOs’ phytochemical composition and bioactivities. The results revealed that S. thymbrifolia EOs have potential antioxidant, antimicrobial, and cytotoxic effects. These outcomes emphasized S. thymbrifolia EO's potential dietary, pharmacological, and cosmetic applications.
In Situ Built ZnS/MXene Heterostructure by a Mild Method for Inhibiting Polysulfide Shuttle in Li‐S Batteries
Authors: Liu Ruyan , Zhang Jiudi , Liu Siyu , Wang Xinyang , Qi Min , Dai Binting , Wang Yali , Ma Lin , Li Junjie , Yang Jinzheng , Jin Zhanshuang
Published: September 2024

With high specific surface area, excellent polysulfide conversion activity, and fast electron/ion transfer at the interface, MXene‐derived heterostructures can be employed as catalysts for lithium‐sulfur (Li−S) batteries to accelerate sulfur redox kinetics and suppress shuttle effect. However, the preparation of MXene‐derived heterostructures often requires high‐temperature reactions, which can easily lead to the oxidation of MXene and sacrifice the electrical conductivity. Herein, a catalytic two‐dimensional heterostructure (ZnS/MXene) was successfully synthesized via a mild method. The MXene skeleton retains the original nanosheet structure without oxidation. The in situ‐grown ZnS nanospheres prevent the restacking of MXene nanosheets, which not only increases the active sites, but also guarantees channels for the fast passage of lithium ions. The interfacial built‐in electric field further promotes electron/ion migration, thereby expediting the polysulfide conversion and suppressing the shuttle effect. Consequently, the batteries using ZnS/MXene modified separators exhibit a high initial discharge capacity of 1230 mAh g−1 at 0.1 C and a low decaying rate of 0.082 % per cycle after 500 cycles at 0.5 C. This work offers a reference for the fabrication of MXene‐based heterostructure in Li−S batteries.
Chlorinated Polythiophene‐Based Donors with Reduced Energy Loss for Organic Solar Cells
Authors: Li Huixue , Ren Junzhen , Ma Lijiao , Chen Zhihao , Yu Yue , Wang Jianqiu , Zhang Shaoqing
Published: September 2024

Comprehensive Summary

The industrialization of organic solar cells (OSCs) faces challenges due to complex synthesis routes and high costs of organic photovoltaic materials. To address this, we designed and synthesized a series of polythiophene‐based donor materials, PTVT‐T‐xCl (20%Cl, 50%Cl and 100%Cl), by introducing different degrees of chlorine substitution within their conjugated skeletons. The incorporation of chlorine atoms does not change the planar conformation of the conjugated main chain of the control polymer, PTVT‐T, but effectively reduces their HOMO energy levels (≤ –5.3 eV) and alters the crystallinity of the polymers. In addition, when preparing OSC by blending with non‐fused electron acceptor A4T‐16, the non‐radiative energy loss of the three photovoltaic devices gradually decreased with the increase of chlorine content (0.343, 0.278 and 0.189 eV, respectively). Notably, PTVT‐T‐20%Cl exhibited a more moderate nanoscale phase separation with the acceptor, leading to efficient exciton dissociation, lower bimolecular recombination, and thus a favorable current in the OSCs. Consequently, the photovoltaic device based on PTVT‐T‐20%Cl:A4T‐16 achieved a remarkable photovoltaic efficiency of 11.8%. In addition, the PTVT‐T‐xCl series polymers show much lower material‐only‐cost (MOC) values than the other reported photoactive material systems. This work provides the way for the development of low‐cost photovoltaic materials and the industrial application of OSC, overcoming previous limitations posed by high energy losses in polythiophene‐based donors.
Quantitative Systems Pharmacology Models: Potential Tools for Advancing Drug Development for Rare Diseases
Authors: Neves‐Zaph Susana , Kaddi Chanchala
Published: September 2024

Rare diseases, affecting millions globally, present significant drug development challenges. This is due to the limited patient populations and the unique pathophysiology of these diseases, which can make traditional clinical trial designs unfeasible. Quantitative Systems Pharmacology (QSP) models offer a promising approach to expedite drug development, particularly in rare diseases. QSP models provide a mechanistic representation of the disease and drug response in virtual patients that can complement routinely applied empirical modeling and simulation approaches. QSP models can generate digital twins of actual patients and mechanistically simulate the disease progression of rare diseases, accounting for phenotypic heterogeneity. QSP models can also support drug development in various drug modalities, such as gene therapy. Impactful QSP models case studies are presented here to illustrate their value in supporting various aspects of drug development in rare indications. As these QSP model applications continue to mature, there is a growing possibility that they could be more widely integrated into routine drug development steps. This integration could provide a robust framework for addressing some of the inherent challenges in rare disease drug development.
Recent Progress of Thin Crystal Engineering for Perovskite Solar Cells
Authors: Cheng Xiao , Gan Xinguang , Jin Gan , Chen Zhaolai , Li Ning
Published: October 2024

Metal halide perovskite single crystals hold promise for photovoltaics with high efficiency and stability due to their superior optoelectronic properties and weak bulk ion migration. The past several years have witnessed rapid development of single‐crystal perovskite solar cells (PSCs) with efficiency rocketed from 6.5 % to 24.3 %, however, which still lags behind their polycrystalline counterparts. Moreover, the poor device stability under light illumination is contrary to the high ion migration barrier of perovskite single crystals. The key limiting factors should be the low crystalline quality and high surface defect density of solution‐grown thin single crystals. Under this circumstance, a review paper summarizing the recent progress and challenges will be instructive for future development of this emerging field. In this manuscript, the crystal engineering used to enhance carrier transport and suppress carrier recombination in vertical single‐crystal PSCs will be summarized initially, including crystal growth, component control, surface and interface modification. Subsequently, the application of perovskite single crystals in lateral single‐crystal PSCs will be discussed and compared with the conventionally vertical structure. Finally, the challenges and proposed strategies for the development of single‐crystal PSCs are provided.
Aromatic Poly(dithioacetal)s: Spanning Degradability, Thermostability, and High Refractive Index Towards Eco‐friendly Optics
Authors: Watanabe Seigo , Yano Tomoya , An Zexin , Oyaizu Kenichi
Published: September 2024

In the quest for eco‐friendly optics, high refractive index polymers (HRIPs) with degradability have been one of the desirable optical materials for realizing eco‐friendly and efficient lighting technologies. However, it has been challenging for HRIPs to simultaneously realize thermostability, high refractive index (RI), visible transparency, and efficient degradability, all of which are essential for their practical use. In this context, we herein focus on aromatic poly(dithioacetal)s, composed of visible‐transparent yet degradable dithioacetal moieties and rigid phenylene sulfide spacers, exhibiting moderately high Tg (> 60 °C), high RI (> 1.7), and colorless film features. In addition, poly(dithioacetal)s can balance (1) high stability under the operating conditions even upon heating and (2) quantitative degradability that can selectively yield cyclic low‐molecular‐weight products that can be further repolymerized upon further addition of an acid catalyst. These results provide a key concept for high refractive index polymers that allow on‐demand degradability and recyclability without compromising their high potential thermal and optical properties.
Single‐cell and spatial omics unravel the spatiotemporal biology of tumour border invasion and haematogenous metastasis
Authors: Cheng Xifu , Cao Yuke , Liu Xiangyi , Li Yuanheng , Li Qing , Gao Dian , Yu Qiongfang
Published: October 2024

Solid tumours exhibit a well‐defined architecture, comprising a differentiated core and a dynamic border that interfaces with the surrounding tissue. This border, characterised by distinct cellular morphology and molecular composition, serves as a critical determinant of the tumour's invasive behaviour. Notably, the invasive border of the primary tumour represents the principal site for intravasation of metastatic cells. These cells, known as circulating tumour cells (CTCs), function as ‘seeds’ for distant dissemination and display remarkable heterogeneity. Advancements in spatial sequencing technology are progressively unveiling the spatial biological features of tumours. However, systematic investigations specifically targeting the characteristics of the tumour border remain scarce. In this comprehensive review, we illuminate key biological insights along the tumour body‐border‐haematogenous metastasis axis over the past five years. We delineate the distinctive landscape of tumour invasion boundaries and delve into the intricate heterogeneity and phenotype of CTCs, which orchestrate haematogenous metastasis. These insights have the potential to explain the basis of tumour invasion and distant metastasis, offering new perspectives for the development of more complex and precise clinical interventions and treatments.
Novel and active Bi2Zr1.9M0.1O7 (M = Mn, Fe, Co, Ni) catalysts for soot particle removal: Engineering surface with rich oxygen defects via partial substitution of Zr‐site
Authors: Zhang Shijing , Wang Ping , Li Yuting , Liu Haojun , Shen Jiating , Xu Xianglan , Xu Junwei , Fang Xiuzhong , Wang Xiang
Published: September 2024

To obtain more cost‐effective, non‐noble catalysts for soot particle combustion of diesel engine cars, Bi2Zr1.9M0.1O7 (M = Mn, Fe, Co, Ni) compounds with partial lattice substitution have been designed and synthesized. All the substituted catalysts show significantly promoted activity, in the order of Bi2Zr2O7 < Bi2Zr1.9Ni0.1O7 < Bi2Zr1.9Co0.1O7 < Bi2Zr1.9Fe0.1O7 < Bi2Zr1.9Mn0.1O7. The presence of NO improves the activity of all the samples due to the generation of active surface nitrates/nitrites. It has been proven that all the modified catalysts possess weaker Zr–O bonds, which facilitates the generation of more surface defects. Density functional theory calculations have confirmed that a more defective catalyst has a lower vacancy formation energy and O2 adsorption energy. Isotopic 18O2 labeling has also substantiated that a more defective catalyst has a faster gaseous O2 exchange rate, thus improving the generation of more abundant soot reactive oxygen sites. The weakening of Zr‐O bonds is the inherent factor to improve the catalytic activity. Mn‐substitution can lead to the weakest Zr‐O bonds in Bi2Zr1.9Mn0.1O7, which thus shows the optimal catalytic activity. Notably, the complete soot combustion can be achieved even at 360°C on this catalyst.
Towards a Standardized Operating Procedure for eDNA‐Based Biomonitoring in Coastal Marine Salmon Aquaculture
Authors: Oladi Mahshid , Wilding Thomas A. , Wyness Adam , Stoeck Thorsten
Published: September 2024

The marine aquaculture industry and regulators are in the process of implementing environmental DNA (eDNA) metabarcoding of microbial communities for compliance monitoring. This requires standardization of sampling, laboratory, and data analysis protocols. Towards this goal, we in this study completed two further milestones using samples collected from two Scottish salmon farms: (i) We tested the effect of using two different PCR protocols (i.e., different DNA polymerases, master mixes, and annealing temperatures), which are frequently being used in eDNA biomonitoring of aquaculture installations, for the amplification of the taxonomic marker gene (V3‐V4 hypervariable region of the bacterial 16S rRNA gene). (ii) We quantified sampling background noise obtained from eDNA samples and statistically compared results with the sampling bias observed in macrofaunal samples from the same source sediments. We detected differences in bacterial community structures resulting from the performance of different PCR protocols, profoundly influencing the interpretation of biomonitoring results. Furthermore, we found that sampling‐induced errors for eDNA samples were similar to errors for macrofaunal samples collected according to compliance monitoring protocol (~25% variability in both cases). Finally, we showed that within‐grab variances of microbial community structures were in the same order of magnitude (less than 10× difference in all cases) as the one obtained from replicate grabs collected from the same locale (impact category). Based on our findings, we suggest using a consistent PCR protocol for biomonitoring efforts to improve the comparability of results, especially when different service providers are conducting the biomonitoring. We propose a sampling scheme to be considered in eDNA biomonitoring that includes taking three replicate grabs at each locale, with one replicate sample from each grab. This minimizes sampling‐induced errors and makes upcoming eDNA‐based monitoring results comparable with previous compliance monitoring results obtained from macrofaunal data.
Intracardiac energy inefficiency during decompensated and compensated heart failure
Authors: Kawaji Tetsuma , Kaneda Kazuhisa , Yaku Hidenori , Bao Bingyuan , Hojo Shun , Tezuka Yuji , Matsuda Shintaro , Shiomi Hiroki , Kato Masashi , Yokomatsu Takafumi , Miki Shinji , Ono Koh
Published: September 2024

Aims

The mechanisms underlying the acute decompensation of heart failure (HF) remain unclear. The present study examined intracardiac dynamics during decompensated HF using echo‐vector flow mapping.

Methods and results

Fifty patients admitted for decompensated HF were prospectively enrolled, and intracardiac energy loss (EL) was assessed by echo‐vector flow mapping at admission (decompensated HF) and discharge (compensated HF). Outcome measures were average EL in the left ventricle (LV) in decompensated and compensated HF and were compared with those in 40 stable non‐HF patients with cardiovascular diseases. The mean age of HF patients was 80.8 ± 12.4 years. The prevalence of both females and atrial fibrillation was 48.0%. The prevalence of HF with a reduced ejection fraction (<40%) (HFrEF) was 34.0%. The prevalence of decompensated HF classified into clinical scenario 1 was 33.3%. Blood pressure and NT‐proBNP were significantly higher in decompensated HF than in compensated HF, while the ejection fraction (EF) was significantly lower. Average EL was significantly higher in compensated HF patients than in non‐HF patients (40 mW/m·L vs. 26 mW/m·L, P = 0.047). A multivariable analysis identified age, systolic blood pressure, LVEF, and the absence of chronic obstructive pulmonary disease as independent risk factors for high LV‐EL regardless of the presence of HF. Furthermore, average EL in HF patients was significantly higher under acute decompensated conditions than under compensated conditions (55 mE/m·L vs. 40 mE/m·L, [+18 mE/m·L, P = 0.03]). Higher EL under decompensated HF conditions was significant in non‐HFrEF (+19 mW/m·L, P = 0.009) and clinical scenario 1 (+23 mW/m·L, P = 0.008). The multivariable analysis identified eGFR as an independent risk factor for a decrease in average LV‐EL under decompensated conditions.

Conclusions

Energy inefficiency in LV was apparent even in stable HF patients and significant under acute decompensated conditions, particularly in HF with preserved EF and clinical scenario 1.
Real‐world data on Empagliflozin and Dapagliflozin use in patients with HEART failure: The RED–HEART study
Authors: Kocabas Umut , Ergin Isil , Yavuz Veysel , Altın Cihan , Kaplan Mehmet , Yılmaz Öztekin Gülsüm Meral , Doğduş Mustafa , Murat Selda , Murat Bektaş , Kıvrak Tarık , Karabulut Dilay , Kaya Ersin , Özdemir İbrahim Halil , Yıldız Cennet , Salkın Fatma Özge , Özçalık Emre , Polatkan Şeyda Günay , Çakan Fahri , Şen Taner , Karabulut Umut , Çakal Sinem , Oflar Ersan , Sinan Ümit Yaşar , Yenerçağ Mustafa , Türk Uğur Önsel
Published: September 2024

Aims

We aimed to determine the use of sodium–glucose cotransporter 2 inhibitors (SGLT2is) and to identify clinical factors associated with their use in patients with heart failure (HF) in a real‐life setting.

Methods

Real‐world data on Empagliflozin and Dapagliflozin use in patients with HEART failure: The RED–HEART study is a multicentre, cross‐sectional and observational study that included HF patients in the outpatient setting regardless of ejection fraction from 19 cardiology centres between August 2023 and December 2023.

Results

The study population consisted of 1923 patients with HF, predominantly men (61.2%), with a median age of 66 (range: 19–101) years. Overall, 925 patients (48.1%) were receiving SGLT2is. Among the study population, 22.1% had HF with preserved ejection fraction, 21.5% had HF with mildly reduced ejection fraction, 56.4% had HF with reduced ejection fraction and the use of SGLT2is was 42.0%, 47.9% and 50.6% in each group, respectively (P = 0.012). The use of SGLT2is was 76.6% in patients with HF and diabetes, 19.8% in patients with HF and chronic kidney disease and 26.8% in patients without diabetes and chronic kidney disease (P < 0.001). Higher education level [odds ratio (OR): 1.80; 95% confidence interval (CI): 1.06–3.05; P = 0.027], higher household income (OR: 3.46; 95% CI: 1.27–9.42; P = 0.015), New York Heart Association functional class IV (OR: 2.72; 95% CI: 1.16–6.35; P = 0.021), diabetes (OR: 9.42; 95% CI: 6.72–13.20; P < 0.001), the use of angiotensin receptor–neprilysin inhibitors (ARNis) (OR: 4.09; 95% CI: 2.39–7.01; P < 0.001), the use of mineralocorticoid receptor antagonists (MRAs) (OR: 2.02; 95% CI: 1.49–2.75; P < 0.001), the use of loop diuretics (OR: 1.62; 95% CI: 1.18–2.22; P = 0.003) and the use of thiazide diuretics (OR: 1.72; 95% CI: 1.30–2.29; P < 0.001) were independently associated with the use of SGLT2is. Conversely, atrial fibrillation (OR: 0.63; 95% CI: 0.45–0.88; P = 0.008), chronic kidney disease (OR: 0.53; 95% CI: 0.37–0.76; P = 0.001), the use of dihydropyridine calcium channel blockers (OR: 0.68; 95% CI: 0.48–0.98; P = 0.042) and the use of statins (OR: 0.67; 95% CI: 0.49–0.91; P = 0.010) were independently associated with the non‐use of SGLT2is.

Conclusions

The RED–HEART study provided comprehensive real‐world data about implementing SGLT2is in patients with HF. These results suggest that there is a need for organized action and close collaboration between healthcare providers to improve the implementation of SGLT2is, especially in patients with HF with preserved ejection fraction and chronic kidney disease.
Molecular Break Junction: A Stage for Redox Transformations
Authors: Neogi Ishita , S Haritha , Sebastian Anjitha , Achankunju Simi , Mohanty Gourab , Nanda Parida Keshaba
Published: September 2024

An exceptionally brilliant strategy to miniaturize electronic devices is to employ a single‐molecule between two electrodes for carrier conduction at single‐molecule break junctions (SMBJ). To understand the intrinsic mechanisms of operation at these junctions, extremely crucial is to study physical, chemical, and electrochemical properties employing single‐molecules at SMBJs. Further, redox‐based transformations at the nano‐junction could be achieved electrochemically to allow efficient switching between different redox states of a single‐molecule, showcasing the possibility of maneuvering transport properties with on‐off states of the molecule. Herein, are presented the fundamentals of SMBJs, and the electrochemically influenced transformations or switching of organic molecules pursued at SMBJs. Such an understanding of electrochemical phenomena at the nanoscale dimension could bridge the knowledge gap between macroscopic electronic circuits and single‐molecule electronic circuits, whereby the feasibility of switching between the states could maneuver the electronic properties as well as other photophysical parameters.
Continuous measurement of interstitial glycaemia in professional female UCI world tour cyclists undertaking a 9‐day cycle training camp
Authors: Hamilton Ross , McCarthy Olivia M. , Bain Stephen C. , Bracken Richard M.
Published: September 2024

Nine cyclists (age: 26 ± 5 years, height: 168 ± 5 cm and mass 58.5 ± 4.5 kg) were observed using continuous glucose monitoring devices throughout a training camp. Interstitial glucose [iG] data were captured via the Abbott libre sense biosensor (Abbott Laboratories) and paired with the Supersapiens software (TT1 Products Inc.). [iG] data were split into time ranges, that is, overall (24‐hourly), day‐time (06:00–23:59), night‐time (00:00–05:59) and exercise. [iG] data were stratified into percentage of time, below range ([TBR] < 70 mg/dl), in range ([TIR] 70–140 mg/dl) and above range ([TAR] ≥ 141 mg/dl). Differences in diurnal and nocturnal data were analysed via repeated measures analysis of variance and paired t‐tests where appropriate. p‐value of ≤0.05 was accepted as significant. Riders spent an average of 3 ± 1% TAR, 93 ± 2% TIR and 8 ± 3% TBR. Mean 24 h [iG] was 93 ± 2 mg/dl with a coefficient of variation (CV) of 18 ± 1%. Mean (day: 95 ± 3 vs. night: 86 ± 3 mg/dl and p < 0.001) and CV (day: 18 ± 1 vs. night: 9 ± 1% and p < 0.001) in [iG] were higher during the day‐time hours. TAR was greater during the day (day: 3 ± 1 vs. night: 0 ± 0% and p < 0.001) but TBR and TIR were similar. Glucose levels below the clinical range may have implications for those without diabetes and warrants further investigation.
Unveiling variability: A systematic review of reproducibility in visual EEG analysis, with focus on seizures
Authors: Aanestad Eivind , Beniczky Sándor , Olberg Henning , Brogger Jan
Published: September 2024

Objective

Reproducibility is key for diagnostic tests involving subjective evaluation by experts. Our aim was to systematically review the reproducibility of visual analysis in clinical electroencephalogram (EEG). In this paper, we give data on the scope of EEG features found, and detailed reproducibility data for the most studied feature.

Methods

We searched four databases for articles reporting reproducibility in clinical EEG, until June 2023. Two raters screened 24 553 citations, and then 2736 full texts. Quality was assessed according to the GRRAS guidelines.

Results

We found 275 studies (268 interrater and 20 intrarater), addressing 606 different EEG features. Only 38 EEG features had been studied in >2 studies. Most studies had <50 patients and EEGs. The most often addressed feature was seizure detection (62 papers). Interrater reproducibility of seizure detection was substantial‐to‐almost‐perfect with experienced raters and raw EEG (kappa .62–.88). With experienced raters and transformed EEG, reproducibility was substantial (kappa .63–.70). Inexperienced raters had lower reproducibility. Seizure lateralization reproducibility was moderate to substantial (kappa .58–.77) but lower than for seizure detection.

Significance

Most EEG reproducibility studies are done only once. Intrarater studies are rare. The reproducibility of visual EEG analysis is variable. Interrater reproducibility for seizure detection is substantial‐to‐perfect with experienced raters and raw EEG, less with inexperienced raters or transformed EEG.

The results of visual EEG analysis vary within the same rater, and between raters. There is a need for larger collaborative studies, using improved methodology, as well as more intrarater studies of EEG interpretation.