bluuebunny/crossref_metadata_2025 huggingface dataset:
Humanitarian GIS
Authors: Laituri Melinda J.
Published: September 2024

Humanitarian GIS is the use of geospatial technologies and digital data to increase the effectiveness of humanitarian aid for extreme events. It is an approach to examine disasters where spatial data using geographic coordinates linked to place‐based attributes improve humanitarian logistics, planning, and monitoring. Humanitarian GIS informs cybercartographies – internet‐based, interactive maps with multimedia and diverse data sources using a dynamic interface. The analytical tools of GIS (geostatistics), access to high‐resolution remote sensing data (satellite imagery), and mobile devices (smart phones, unmanned aerial vehicles) enables the collection of near real‐time data to inform and support crisis mapping, emergency preparedness, disaster management, and catastrophe modeling. Methods for data collection to assist in humanitarian logistics facilitate participatory methods of remote volunteer crisis mappers and connectivity with local communities. Humanitarian GIS enables the convergence of people and technology from different fields, sectors, and expertise to provide place‐based strategies during an extreme event.
ADSCC‐CM‐Induced Keratin Hydrogel‐Based Bioactive Microneedle Patch Containing Triamcinolone Acetonide for the Treatment of Pathological Scar
Authors: Li Cong , Yi Bingcheng , Xu Quanchen , Ma Jinlong , Yuan Luhan , Liu Yining , Liu Wei , Zhou Ziyi , Ning Xuchao , Zhang Jierui , Yang Fan , Wang Sisi , Shi Qiang , Zhou Qihui , Wang Zhiguo
Published: September 2024

Pathological scars (PS) are involved in the excessive response of inflammation and overactivation of myofibroblasts. Herein, a novel microneedle (MN) patch based on the adipose‐derived stem cell concentrated conditioned medium (ADSCC‐CM) cross‐linked keratin hydrogel is developed to load triamcinolone acetonide (TA), thereby achieving the dual‐drug delivery of ADSCC‐CM and TA to simultaneously reduce the inflammation and guide myofibroblast behaviors. Results not only confirm the ability of ADSCC‐CM to drive the formation of keratin‐based hydrogel, but also verify the dual‐drug release capacities of the hydrogel‐developed MNs (TA@AC‐MN). Using human hyperplastic scar fibroblast (HSF), the combination of ADSCC‐CM and TA demonstrates a pronounced synergistic effect in mitigating the detrimental effects of the inflammatory microenvironment on HSFs, including suppressing the production of reactive oxygen species and attenuating the expression of inflammatory factors. Compared with the clinically used TA, TA@AC‐MN promotes scar biomimetic repair (i.e., optimizing the proportion of collagen and increasing the tissue tensile strength). This study demonstrates that TA@AC‐MN has the capacity to provide a self‐managing and minimally invasive therapeutic strategy for PS.
An Efficient Strategy for Tailoring Interfacial Charge Transfer Pathway on Semiconductor Photocatalysts: A Case of (BiFeO3)x(SrTiO3)1−x/Mn3O4
Authors: Wang Qiang , Li Li , Liu Rongrong , Wang Ping , Wang Yapeng , Liang Jun
Published: September 2024

The ability to generate heterostructures with a desirable charge transfer pathway is essential for achieving semiconductor photocatalysts with super photocatalytic activity. Herein, it is proposed to realize robust tailoring of effective charge transfer pathway in semiconductor‐based heterostructures via work function regulation, and elucidate the influence of the work function of the semiconductor on the charge transfer mechanism at the heterostructure interface. Specifically, taking type‐II heterostructure SrTiO3/Mn3O4 as an example, introducing BiFeO3 into SrTiO3 effectively regulate the work function of the (BiFeO3)x(SrTiO3)1−x/Mn3O4 (BxT1−x/Mn3O4) solid solution through optimizing the x value. Combined with in situ testing, the results show that the original type‐II heterojunction SrTiO3/Mn3O4 is converted into S‐scheme heterojunction (BiFeO3)0.3(SrTiO3)0.7/Mn3O4 when BiFeO3 is introduced. This increases the work function of the semiconductor, inducing the light‐generated carriers to be guided and separated by the generated built‐in electric field. Therefore, the implementation of this strategy can achieve efficient photocatalytic CO2 reduction. In contrast to pristine SrTiO3/Mn3O4, the (BiFeO3)0.3(SrTiO3)0.7/Mn3O4 heterostructure exhibits a 28‐fold enhancement of in electron consumption rate during photocatalytic CO2 reduction, and the reaction mechanism is suggested. In this study, a strategy for effectively converting interfacial charge transfer pathways in semiconductor photocatalysts is developed to enhance the photoconversion kinetics of CO2 and H2O.
Bio‐Inspired Cellulose Composites With Multicolor Separation via Electro‐Thermal and Magneto‐Thermal Techniques for Multifunctional Applications
Authors: Wen Xiaoxiang , Yue Yifan , Wang Changxing , Zhang Jinxia , Xie Yuechi , Ning Yayun , Li Jianing , Lu Xuegang , Yang Sen
Published: September 2024

Biomimetic optical devices based on cellulose nanocrystals with tunable structural colors have received significant attention recently. However, the limited ability to control multicolor separation beyond simple single‐color modulation restricts its practical applications. Here, a diversified multicolor separation strategy for the cholesteric phase cellulose composite (CPCC) is presented. The CPCC is prepared by integrating a high‐concentration self‐assembled hydroxypropyl cellulose with a cross‐linked poly(acrylic acid‐acrylamide) (P(AA‐AM)) network. By adjusting the cross‐linking degree of P(AA‐AM) in CPCC, Thermally induced multicolor separation is achieved from a homochromatic state at room temperature to multicolor patterned display at elevated temperatures. Furthermore, by utilizing the electric heating effect of conductive carbon oil, the multicolor separation under low voltage is achieved, and based on this, pixelated electro‐thermochromic displays are developed. Additionally, magneto‐thermal multicolor separation induced by introducing FeNi3 nanoparticles is investigated with efficient magnetic induction heating ability into CPCC. The multicolor separation effect is further improved by pixelated distribution of FeNi3 nanoparticles and adjusting the concentration of FeNi3 in each pixel. Finally, thermochromism, electro‐thermochromic, and magneto‐thermochromic functionalities are integrated into the CPCC, achieving advanced multilevel information encryption. This multilevel approach of controlling multicolor separation significantly enhances the functionality of nanocellulose in various potential photonic applications.
One‐Step Laser Synthesis of Copper Nanoparticles and Laser‐Induced Graphene in a Paper Substrate for Non‐Enzymatic Glucose Sensing
Authors: Pinheiro Tomás , Caetano Joana , Fortunato Elvira , Sales M. Goreti F. , Almeida Henrique , Martins Rodrigo
Published: September 2024

The synergy resulting from the high conductivity of graphene and catalytic properties of metal nanoparticle has been a resource to improve the activity and functionality of electrochemical sensors. This work focuses on the simultaneous synthesis of copper nanoparticles (CuNPs) and laser‐induced graphene (LIG) derived from paper, through a one‐step laser processing approach. A chromatography paper substrate with drop‐casted copper sulfate is used for the fabrication of this hybrid material, characterized in terms of its morphological, chemical, and conductive properties. Appealing conductive properties are achieved, with sheet resistance of 170 Ω sq−1 being reached, while chemical characterization confirms the simultaneous synthesis of the conductive carbon electrode material and metallic copper nanostructures. Using optimized laser synthesis and patterning conditions, LIG/CuNPs‐based working electrodes are fabricated within a three‐electrode planar cell, and their electrochemical performance is assessed against pristine LIG electrodes, demonstrating good electron transfer kinetics appropriate for electrochemical sensing. The sensor's ability to detect glucose through a non‐enzymatic route is optimized, to assure good sensing performance in standard samples and in artificial sweat complex matrix.
Vertical‐Switching Conductive Bridge Random Access Memory with Adjustable Tunnel Gap and Improved Switching Uniformity Using 2D Electron Gas
Authors: Kim Jiho , Kwon Ohhyuk , Seo Jongseon , Hwang Hyunsang
Published: September 2024

Owing to the high reactivity and diffusivity of Ag and Cu ions, controlling the atomic filament formation and rupture processes in conductive bridge random‐access memory (CBRAM) is challenging. In this study, it is demonstrated that by using a 2D electron gas (2DEG) as the bottom electrode (BE) in a vertical‐switching CBRAM (V‐CBRAM), filament formation and rupture can be effectively managed and the tunnel gap distance created by partial filament formation can be adjusted. The 2DEG BE induces partial filament formation by limiting the number of electrons required for this process in the V‐CBRAM device, as verified via current fitting to the quantum point contact model. Varying the electron concentration and activation energy for electrons trapped in the 2DEG, when paired with various programming voltages, leads to transitions in the device resistance state via changes in the distance of the tunnel gap. This tunnel‐gap‐tunable 2DEG V‐CBRAM device, which exhibits superior switching uniformity, can be employed for nonvolatile memory applications in the sub‐G0 conductance regime, such as 3‐bit multilevel cells and selector‐less memory.
Light‐Enhanced Suzuki–Miyaura Crosscoupling Reaction by Polyoxopalladates Clusters: Doping Effect
Authors: Li Huiyong , Liu Ye , Abdolrahimi Amin , Jiao Xin‐Guo , Liu Xiao‐He , Wang Yu
Published: September 2024

Atomic precise clusters play a pivotal role in elucidating catalytic mechanisms. Emerging well‐defined noble metal oxygen clusters, such as polyoxopalladates (POPs), present promising prospects as ideal model catalysts for comprehensively understanding the molecular mechanisms underlying noble metal‐based catalysis. Herein, modified SBA‐15 serves as a substrate for loading three distinct POP clusters, thus forming heterogeneous catalysts for the Suzuki–Miyaura crosscoupling reaction. It is revealed that the copper‐doped cluster shows better performance than the Fe‐ and Co‐doped clusters due to the relatively high electronegativity of copper. Interestingly, all catalysts demonstrate enhanced performance under light illumination. density functional theory calculation suggests that an electron transfer from the bridging ligands to the Pd atoms takes place under illumination, which facilitates the reactions.
Photokatalytische PPh3‐vermittelte Synthese von C3‐funktionalisierten Indolen über radikalische Anellierung von Nitroaromaten und Alkenen
Authors: Zhang Jingjing , Mück‐Lichtenfeld Christian , Wiethoff Maxim‐Aleksa , Studer Armido
Published: September 2024

Oxidativ erzeugte Phosphin‐Radikalkationen sind reaktive Intermediate, die über Deoxygenierungsprozesse zur Erzeugung von kohlenstoff‐ und heteroatomzentrierten Radikalen verwendet werden können. Solche P‐Radikalkationen lassen sich leicht durch Ein‐Elektronentransfer‐Oxidation mit einem Redoxkatalysator erzeugen. Günstige und kommerziell erhältliche Nitroaromaten sind ideale Stickstoffquellen zum Aufbau organischer Amine und stickstoffhaltiger Heterozyklen. Die Aktivierung von Nitroaromaten mit Phosphinen wurde bereits in ionischen Prozessen erreicht, die jedoch spezielle Phosphor‐Nukleophile und hohe Temperaturen erfordern. In dieser Arbeit wird über einen alternativen Weg der Nitroaktivierung berichtet, der über einen radikalischen Prozess verläuft. Diese Strategie führt zu offenschaligen Zwischenprodukten, die eine interessante, unerforschte Reaktivität zeigen. Dies wird durch die Entwicklung einer wirtschaftlichen und hoch effizienten Synthese wertvoller Indolderivate durch photokatalytische PPh3‐vermittelte Anellierung von Nitroaromaten mit Alkenen dokumentiert. Die Sequenz weist eine große Toleranz gegenüber funktionellen Gruppen auf. Das Verfahren ermöglicht die Aktivierung von Nitroaromaten bei Raumtemperatur, wobei eine doppelte C−H‐Bindungsfunktionalisierung von Alkenen erreicht wird, um einen schnellen Zugang zu C3‐funktionalisierten Indolen zu bieten, die Schlüsselstrukturkomponenten verschiedener Naturstoffe und Arzneimittel darstellen. Mechanistische Studien, die durch DFT‐Berechnungen weiter unterstützt werden, deuten darauf hin, dass ein Nitrosoaryl‐Radikalkation eine Schlüsselrolle im Anellierungsprozess spielt.
Sustainable poly(imide‐imide) vitrimer based on multiple dynamic covalent bonds
Authors: Zhao Yanna , Zhang Yingying , Bai Xiaowei , Wang Yuqi , Li Yiqing , Yang Shuai
Published: September 2024

Polyimide materials with high mechanical strength are widely used in various fields, but pose certain challenges in achieving sustainable material utilization. A poly(imide‐imide) vitrimer material (ADTA) based on multiple dynamic covalent bonds (imide, imine, and disulfide bonds) was constructed by preparing vanillin difunctionalized derivatives (DVA) for aldolamine condensation reactions with bis‐amine monomers (ATFA) and tris(2‐aminoethyl) amines (TAEA) with imide structures. The ADTA material has good 5% thermal stability Td5% (278.87°C), high energy storage modulus E (2421.26 MPa), and fast relaxation time (36.39 s). The thermal stability and mechanical properties of the material are enhanced by the more stable alicyclic structure of the imide structure. The material also demonstrated excellent solvent resistance and self‐healing properties. This study provides a new option for the development of sustainable utilization of polyimide materials.
POSS‐reinforced covalent network in epoxy adhesive and its improvement in the high‐temperature adhesion, toughness, and transparency
Authors: Chengyu Shi , Nan Li , Qisong Yuan , Tao Liu , Qingyuan Cao , Hanqi Qian , Bo Jiang , Jiazhi Wang , Xiangtao Yu
Published: September 2024

Developing epoxy structural adhesives with excellent high‐temperature adhesion remains a great challenge. The incorporation of fillers can enhance the performance of epoxy adhesives, albeit at the expense of reduced high‐temperature adhesion properties. Polyhedral oligomeric silsesquioxanes (POSS) is considered a promising filler for enhancing high‐temperature adhesion properties due to its excellent compatibility and nano cage‐structured. Herein, the rigid cage‐structured was covalently introduced epoxy adhesives to improve the high‐temperature adhesion properties. The introduction of 1 wt% POSS significantly increased the high‐temperature (120°C) adhesion strength by 197% and toughness by 283%. The POSS‐reinforced adhesive also featured excellent wide temperature adaptability, indicating that it maintained high adhesion strength at various temperatures. Furthermore, POSS drastically enhanced the transparency of epoxy adhesive by three times. It is highly anticipated that this work will open a new avenue of designing epoxy adhesives with the excellent high‐temperature adhesion properties and transparency.
Enhancing Li4Ti5O12 Anodes for High‐Performance Batteries: Ti3+ Induction via Plasma‐Enhanced Chemical Vapor Deposition and Dual Carbon/LLZO Coatings
Authors: Abdelaal Mohamed M. , Alkhedher Mohammad
Published: September 2024

Lithium titanium oxide (LTO) is a promising anode material due to its ability to store lithium through intercalation reactions. However, its electrochemical performance is limited by poor electron conductivity and side reactions with the electrolyte. In this study, plasma‐enhanced chemical vapor deposition (PECVD) is employed to introduce oxygen vacancies and self‐doped Ti3+ into LTO to improve the internal conductivity. Subsequent carbon coating and aluminum‐doped lithium lanthanum zirconate garnet (LLZO) layers resulted in a multi‐layered composite denoted as LTO−L‐x. Morphological analyses using SEM and TEM demonstrated the successful growth of Al‐doped LLZO on carbon‐coated LTO. Aluminum ions in LLZO cubic structure are crucial for stabilizing the high ionic conductive phase during cooling, as confirmed by X‐ray diffraction. The dual coating layers have a significant impact on the rate capability, reducing polarization gaps and enabling higher capacities at various current rates. Long‐term cycling tests reveal the robustness of the composite, with LTO−L‐1.0 retaining 90.8 % capacity after 4000 cycles at 1.0 A g−1. This underscores the sustained high electronic and ionic conductivity facilitated by the dual coating layers. The study contributes to the design of advanced anode materials for lithium‐ion batteries, emphasizing the importance of tailored coating strategies to address conductivity and stability challenges.
Biomass to biofuel: Palm kernel shells as catalyst supports for enhanced biodiesel production
Authors: Shakir Mohammad Aliff , Ahmad Mardiana Idayu , Mansur Fatin Zafirah , Abdul Khalil H.P.S.
Published: September 2024

The use of agricultural biomass fibers, specifically palm kernel shell (PKS), has significant potential to enhance biodiesel production. This approach overcomes economic barriers and contributes to sustainability by repurposing agricultural biomass. This study explores the effectiveness of PKS as a cost‐effective and sustainable catalyst support. Palm kernel shell was chosen due to its high carbon content, low ash presence, and abundance as a byproduct in the palm oil industry, making it an economically viable and environmentally friendly option. In this study, an optimized activated carbon from PKS biomass was fabricated as catalyst support to enhance biodiesel production efficiency. Using response surface methodology (RSM), the PKS was impregnated with phosphoric acid and synthesized at various acid concentrations, impregnation times, and activation times to enhance porosity for catalytic support capabilities. The experimental design included a central composite design (CCD) to vary these factors systematically and determine their optimal levels. Scanning electron microscopy (SEM) and Brunauer–Emmett–Teller (BET) analysis revealed significant development of porosity, affirming the efficient activation process. Energy dispersive X‐ray (EDX) analysis confirmed phosphorus incorporation during activation, indicating the formation of an intricate pore structure. Fourier transform infrared (FTIR) spectroscopy highlighted the presence of functional groups pertinent to the biodiesel reaction process. The transesterification process employing PKS as a catalyst with different biobased feedstocks, such as waste frying oils from corn, palm, and sunflower, led to biodiesel yields of varying efficiencies. Notably, corn oil had the highest yield at 94.92%. This study highlights the potential of PKS as a biobased catalyst support and contributes to the broader biorefinery concept by integrating biomass utilization into renewable fuel production.
Transparency, Authenticity, and Effective Engagement: The Role of Board Directors in Countering Greenwashing
Authors: Pabon John
Published: September 2024

John Pabon is chair of The Conference Board's Asia Sustainability Leaders Council, on the board of advisors to the US Green Chamber of Commerce, and author of The Great Greenwashing: How Brands, Governments, and Influencers Are Lying to You. In this article, he discusses the concept of “greenwashing” and the ways boards can protect their organizations against it.
Untangling the Complexity and Impact of Tau Protein Ubiquitination
Authors: Trivellato Daniele , Munari Francesca , Assfalg Michael , Capaldi Stefano , D'Onofrio Mariapina
Published: September 2024

The microtubule‐associated protein tau is an intrinsically disordered protein highly expressed in neuronal axons. In healthy neurons, tau regulates microtubule dynamics and neurite outgrowth. However, pathological conditions can trigger aberrant tau aggregation into insoluble filaments, a hallmark of neurodegenerative disorders known as tauopathies. Tau undergoes diverse posttranslational modifications (PTMs), suggesting complex regulation and potentially varied functions. Among PTMs, the role and mechanisms of ubiquitination in physiology and disease have remained enigmatic. The past three decades have witnessed the emergence of key studies on tau protein ubiquitination. In this concept, we discuss how these investigations have begun to shed light on the ubiquitination patterns of physiological and pathological tau, the responsible enzymatic machinery, and the influence of ubiquitination on tau aggregation. We also provide an overview of the semi‐synthetic methods that have enabled in vitro investigations of conformational transitions of tau induced by ubiquitin modification. Finally, we discuss future perspectives in the field necessary to elucidate the molecular mechanisms of tau ubiquitination and clearance.
The Rectangular Niobium Oxyiodide Cluster Nb4OI10 – A Narrow Band‐Gap Semiconductor
Authors: Beitlberger Jan , Ströbele Markus , Strauß Fabian , Scheele Marcus , Romao Carl P. , Meyer Hans‐Jürgen
Published: September 2024

A metal‐rich niobium oxyiodide was prepared by soft reduction of NbI4. The structure of the new compound Nb4OI10 was determined by single‐crystal X‐ray diffraction and contains a rectangular Nb4(μ4‐O) cluster that is interconnected into layers by iodide ligands. The local structure of the Nb4OI10 cluster bears a close relationship to a defect Nb6I11 structure. The two‐dimensional van der Waals material
Nb4OI8I4/2] is a small band‐gap semiconductor (<1 eV), as analysed by electrical conductivity measurements, photoresponse, experimental band gap determination, and band structure calculation.
A Novel Self‐Reconfigurable Battery Pack Design with and without Active Cell Balancing
Authors: Bajaj Anirudha , Li Wei , Xiong Maokun , Mou Jianhui , Garg Akhil , Gao Liang , Bose Bibaswan
Published: September 2024

In electric vehicle industry, rechargeable multicell battery packs commonly with fixed configurations are adopted. Such fixed battery configurations have several drawbacks, including limited fault tolerance during unusual operating situations, poor cell state variation management, etc. Thus, this article proposes a self‐reconfigurable battery pack design considering two scenarios: with and without active cell balancing. Herein, the issue of cell state variation is mostly solved by the proposed configuration mode, and further monitoring, control, and protection can be easily appended to accomplish other functionalities, for example, meeting dynamic voltage requirement. Each proposed design is validated by simulation results for a six‐cell polymer lithium‐ion battery pack. The proposed design can maximally utilize the battery's capacity and help to protect cells from over‐charging and over‐discharging as well. This research could be further extended to other application scenarios involving wide‐range dynamic voltage requirements.
A network analysis of eating disorder, PTSD, major depression, state‐trait anxiety, and quality of life measures in eating disorder patients treated in residential care
Authors: Brewerton Timothy D. , Kopland Maren C. G. , Gavidia Ismael , Suro Giulia , Perlman Molly M.
Published: September 2024

Background

The network approach in the eating disorder (ED) field has confirmed important links between EDs and posttraumatic stress disorder (PTSD) symptoms. However, studies including comorbid symptoms are scarce, which limits our understanding of potentially important connections. We hypothesised that anxiety, depression and poor quality of life (QOL) would provide a more complete picture of central, maintaining factors.

Methods

Network analysis using R was performed in 2178 adult ED patients (91% female) admitted to residential treatment. Assessments included the ED Examination Questionnaire (EDEQ), the Eating Disorders Inventory (EDI‐2), the PTSD Checklist for DSM‐5 (PTSD clusters (PCL‐5)), the Patient Health Questionnaire (PHQ‐9), the Spielberger State‐Trait Anxiety Scale (STAI), and the ED QOL Scale (EDQOL), which measure symptoms of EDs, PTSD, major depression, state‐trait anxiety, and QOL, respectively.

Results

EDI‐2 ineffectiveness showed the highest centrality (expected influence) followed by EDI‐2 interoceptive awareness, STAI state anxiety, EDEQ shape concern, EDQOL psychological subscale, and PTSD cluster D (hyperarousal) symptoms. Eating Disorder Quality of Life psychological and physical‐cognitive subscales and PHQ‐9 major depressive, STAI state anxiety and PCL‐5 PTSD cluster E (negative alterations in mood and cognition) symptoms showed the highest bridge expected influence, suggesting their interactive role in maintaining ED‐PTSD comorbidity.

Conclusions

This is the first network analysis of the interaction between ED and PTSD symptoms to include the comorbid measures of depression, anxiety, and QOL in a large clinical sample of ED patients. Our results indicate that several symptom clusters are likely to maintain ED‐PTSD comorbidity and may be important targets of integrated treatment.
Association of rs2241766 and rs1501299 polymorphisms in the adiponectin gene with metabolic syndrome
Authors: Tang Yinghua , Yin Lianli , Lin Faquan
Published: September 2024

Objective

To investigate the influence of adiponectin (APN) rs2241766 and rs1501299 polymorphisms on adiponectin levels and their association with metabolic syndrome (MetS).

Methods

Analyzed two polymorphisms (rs2241766 and rs1501299) of the adiponectin gene (ADIPOQ) in 210 MetS patients and 102 control patients using the polymerase chain reaction‐restriction fragment length polymorphism method and DNA sequencing technology.

Results

The genotypes of the rs2241766 T/G and rs1501299 G/T polymorphism were significantly associated with serum APN levels in MetS patients. The ADIPOQ polymorphisms were associated with a risk of MetS when compared with that in healthy controls. TG and GG genotypes of rs2241766 were associated with a significantly elevated risk of MetS as compared with the TT genotype (OR = 1.32 and OR = 2.53). Subjects with the G allele appeared to have higher susceptibility to MetS than those with the T allele (OR = 2.21). In common with the findings for rs2241766, the rs1501299 GT and TT genotypes were associated with a significantly increased risk of MetS as compared with the GG genotype (OR = 1.51 and OR = 2.24). The susceptibility to MetS appeared to be higher in subjects with the T allele than in those with the G allele (OR = 1.88).

Conclusions

The occurrence of MetS may be associated with genetic variations at the rs2241766 and rs1501299 loci, especially in individuals with T to G mutations (rs2241766) and G to T mutations (rs1501299). These mutations may lead to decreased APN levels and a higher risk of developing MetS.
Use of chemotherapy and loco‐regional therapy in stage IA triple‐negative breast cancer and their association with oncologic outcomes: A cancer registry study
Authors: Pfob André , Surovtsova Irina , Kokh Daria B. ,   Baden‐Württemberg Cancer Registry (BWCR), Heil Joerg , Banys‐Paluchowski Maggie , Morakis Philipp
Published: September 2024

We aimed to evaluate the role of adjuvant chemotherapy and loco‐regional therapy for stage IA (pT1, pN0) triple‐negative breast cancer (TNBC) in a real‐world setting. We identified patients with pT1, pN0 TNBC diagnosed between 2009 and 2021 within the Baden‐Württemberg cancer registry (BWCR), Germany. Overall survival (OS) was assessed using Kaplan–Meier statistics and multivariate Cox regression models (adjusted for age, use of chemotherapy, local therapy (breast conserving therapy [breast conserving surgery + radiotherapy] vs. mastectomy), and tumor histologic subtype). A total of 1231 patients with a median follow‐up of 45.9 months were identified: 1.0% (12 of 1231) with pT1mi stage, 9.5% (117 of 1231) with pT1a, 23.7% (292 of 1231) with pT1b, and 65.8% (810 of 1231) with pT1c. Multivariate Cox regression analysis revealed no significant influence for the use of chemotherapy on OS in pT1b patients (HR 0.90, 95% CI 0.43–1.90). For pT1c patients with Grade 1–2 tumors, the use of chemotherapy was not significantly associated OS (HR 1.01, 95% CI 0.48–2.11) but breast conserving therapy was associated with improved OS (HR 0.41, 95% CI 0.18–0.93). For pT1c patients with Grade 3 tumors, the use of chemotherapy (HR 0.51, 95% CI 0.33–0.78) as well as breast conserving therapy (HR 0.42, 95% CI 0.23–0.76) was associated with OS. This data suggests that OS in stage IA TNBC is strongly influenced by local therapy rather than the use of chemotherapy, except for pT1c patients with Grade 3 tumors. Larger studies with longer‐term follow‐up are welcomed to fully inform this discussion.
Machine learning and multiple linear regression models can predict ascorbic acid and polyphenol contents, and antioxidant activity in strawberries
Authors: Zushi Kazufumi , Yamamoto Miyu , Matsuura Momoka , Tsutsuki Kan , Yonehana Asumi , Imamura Ren , Takahashi Hiromi , Kirimura Masaaki
Published: September 2024

BACKGROUND

Strawberry is a rich source of antioxidants, including ascorbic acid (ASA) and polyphenols, which have numerous health benefits. Antioxidant content and activity are often determined manually using laboratory equipment, which is destructive and time‐consuming. This study constructs a prediction model for antioxidant compounds utilizing machine learning (ML) and multiple linear regression based on environmental, plant growth and agronomic fruit quality‐related parameters as well as antioxidant levels. These were studied in three farms at two‐week intervals during two years of cultivation.

RESULTS

During the ML model screening, artificial neural network (ANN)‐boosted models displayed a moderate coefficient of determination (R2) at 0.68–0.78 and relative root mean square error (RRMSE) at 3.8–4.8% in polyphenols and total ASA levels, as well as a high R2 of 0.96 and low RRMSE at <3.0% in antioxidant activity. Additionally, we developed variable selection models regarding the antioxidant activity, and variables two and five (environmental parameters and leaf length, respectively) with high accuracy were selected. The linear regression analysis between the actual and predicted data of antioxidants in the ANN‐boosted models revealed high fitness with all parameters in almost all training, validation and test sets. Furthermore, environmental parameters are essential in developing such reliable models.

CONCLUSION

We conclude that ANN‐boosted, stepwise and double‐Lasso regression models can predict antioxidant compounds with enhanced accuracy, and the relevant parameters can be easily acquired on‐site without the need for any specific equipment. © 2024 Society of Chemical Industry.
Walnut peptide relieves hypertension and associated kidney and heart injury by regulating the renin–angiotensin–aldosterone system and intestinal microbiota
Authors: Chen Shupeng , Huan Pengtao , Ma Ting , Zhong Yujie , Ning Delu , Zhuang Yongliang
Published: September 2024

BACKGROUND

Hypertension is a chronic disease with high morbidity and mortality. Previously, we screened a walnut meal peptide FDWLR (PEP) with significant angiotensin‐converting enzyme inhibitory activity. The present study further investigated the anti‐hypertensive effects of PEP in vivo using spontaneously hypertensive rats.

RESULTS

The results indicated that PEP reduced blood pressure and the indices in the renin–angiotensin–aldosterone system (RAAS) including angiotensin‐converting enzyme (ACE) (decreased by 15.36%), angiotensin II (Ang II) (decreased by 31.56%), angiotensinogen (AGT) (decreased by 58.84%) and aldosterone (ALD) (decreased by 18.27%), whereas NO levels increased by 54.96%. The pathological analysis showed that PEP relieved cardiac and renal damage. PEP also alleviated oxidative stress, inflammation and fibrosis in the heart and kidney. Mechanistically, PEP mitigated cardiac and renal damage by simultaneously regulating ACE‐Ang II‐AT1R and the ACE2‐Ang (1–7)‐MAS axis. Additionally, PEP increased the levels of short chain fatty acids by 224.16% and improved gut microbiota by increasing the abundance of Prevotella, Phascolarctobacterium, Clostridium_sensu_stricto and Bifidobacterium, at the same time as decreasing Bacteroides and Alistipes abundances.

CONCLUSION

This study indicated that PEP prevented hypertension and associated heart and kidney damage by modulating the RAAS system and gut microbiota, which is valuable in guiding future development and optimal utilization of walnut meal. © 2024 Society of Chemical Industry.
Dietary secoisolariciresinol diglucoside crude extract improves growth through modulating rumen bacterial community and epithelial development in lambs
Authors: Liu Ning , Yu Shiqiang , Qu Jinrui , Tian Boya , Liu Junhua
Published: September 2024

BACKGROUND

Flaxseed lignans, types of polyphenolic compounds, primarily consist of secoisolariciresinol diglucoside (SDG). Natural plant extracts are becoming increasingly important as feed for ruminant animals. An underutilized plant bioactive component, SDG shows promising benefits for young ruminant production. The objective of this study was to assess the impact of SDG on rumen fermentation using an in vitro rumen simulation technology. Additionally, we tested the effects of SDG (0.20 g kg−1 body weight) on rumen development and production performance of lambs in a production setting.

RESULTS

The in vitro addition of 100 mg L−1 SDG demonstrated significant regulatory effects, with a notable decrease in the acetate/propionate ratio (P < 0.05). Feeding trials revealed that SDG significantly increased average daily feed intake and average daily weight gain (P < 0.05), and reduced the acetate/propionate ratio (P < 0.05). This led to a significant increase in the relative abundance of Eubacterium ruminantium (P = 0.038) and Butyrivibrio (P = 0.002). Furthermore, it promoted rumen development and upregulated the relative expression of mRNA of Cyclin E1 and CDK2 in rumen epithelial cells (P < 0.05).

CONCLUSION

The SDG extract optimizes the composition of rumen microbiota and the development of rumen epithelial cells, promoting the growth of pre‐weaning lambs. The SDG additive exhibits potential as a novel growth promoter for ruminant animals, offering a promising solution for sustainable livestock production. © 2024 Society of Chemical Industry.
Cereal‐Based Intercropping Systems Improve Yield Advantage and Crop Yield Under Superabsorbent Application in Semiarid Conditions
Authors: Narimani Yosof , Taleshi Kazem , Khorgami Ali , Vafaei Seyyed Hossein
Published: September 2024

Considering the yield advantage of cereal:legume intercropping in low nitrogen conditions, an experiment was laid out to examine the barley:chickpea intercropping treatments and their effects on biological yield and yield advantage of two plants under rain‐fed conditions as affected by a superabsorbent polymer (0, 50, 75, and 100 kg ha−1) in two cropping seasons. In both years, increasing the chickpea population increased the chickpea biological yield, total land equivalent ratio (TLER), competition index (CI), and barley and chickpea relative yields. Increasing the amount of the superabsorbent polymer to 100 kg ha−1 increased the chickpea competition ratio (0.86). The highest TLER (4.00) was related to 100:100 barley:chickpea intercropping without superabsorbent polymer application. In both years, the highest CI (0.21) was attained in the 100:100 barley:chickpea intercrop system in the first year. This was followed by the 100:100 barley:chickpea intercrop ratio (0.16) in the second year. The highest barley relative yields in the first year (3.91) and second year (3.57) were related to the 100:100 barley:chickpea plant ratio, which was higher than the yields for the 100:25 (38% and 35%), 100:50 (26% and 23%), and 100:75 (12% and 10%) ratios. Based on the results, the superiority of mixed cultivation, compared with pure cultivation, in the exploitation of production resources and integration of crop plants was observed.
Seasonal trends in Subantarctic plankton δ13C and δ15N are driven by phytoplankton dynamics and nutrient preference
Authors: Stirnimann Luca , Bornman Thomas G. , Verheye Hans M. , Fawcett Sarah E.
Published: September 2024

The carbon and nitrogen isotope ratios (δ13C and δ15N) of marine plankton record biogeochemical processes at the base of the food web. In the Southern Ocean, such data, predominantly from summer, have been used to infer surface CO2 concentrations and the potential for biological carbon export. However, variability in plankton δ13C and δ15N remains poorly understood, with the lack of seasonal measurements from the Southern Ocean emerging as a particular limitation. Here, we investigate the δ13C and δ15N of suspended particulate matter (SPM) and zooplankton collected from the Subantarctic Ocean in winter, summer, and autumn. The low summertime δ13CSPM and δ15NSPM can be explained by strong diatom reliance on nitrate supplied during winter mixing. A subsequent increase in δ13CSPM and decrease in δ15NSPM by autumn is consistent with iron limitation in mid‐ to late‐summer favoring diatom succession by nano‐phytoplankton that consume mainly recycled ammonium. By winter, bacterial decomposition of biomass outpaces new biomass production, decreasing δ13CSPM and raising δ15NSPM. The δ13C and δ15N of contemporaneously sampled zooplankton generally reflect the variability in δ13CSPM and δ15NSPM, with one autumn mismatch suggesting that in situ SPM is not always the dominant zooplankton food source. Our study shows how nutrient dynamics and phytoplankton community composition shape the seasonality of the Subantarctic's isotopic baselines, emphasizing a key role for iron availability. This work has implications for isotope‐based food web studies, highlighting the need to consider seasonal variability in δ13CSPM and δ15NSPM, as well as the different turnover times of phytoplankton (i.e., SPM) vs. zooplankton biomass.
Identifying a suitable material model to simulate the mechanical load transfer into the humeral bone in stemless shoulder endoprostheses
Authors: Strackeljan Cornelius , Duvigneau Fabian , Borgolte Melissa , Lohmann Christoph , Döring Joachim , Berth Alexander , Woschke Elmar
Published: September 2024

Modern shoulder arthroplasties with stemless implants help to preserve the original bone substance of the proximal humerus and to reduce potential risks of conventional implants. Their shape allows newly formed bone to grow directly through the implant. However, it is not fully explained how an optimal fixation of the implant by formation of new bone can be achieved or stimulated. In this context, we develop a method to simulate the mechanical loading of the proximal humerus during the surgery using the finite element method to investigate whether one or more mechanical stress variables can be correlated with measurement data of cell activity in the bone, which is available in the form of SPECT/CT data. This contribution presents measurements with explanted humeral heads from patients undergoing planned total shoulder arthroplasties in order to parameterize a material model for trabecular bone to be used in the finite element simulation. The raw data of these measurements were published and can be accessed for further investigations.
Behavior of a phase field model for wetting on structured surfaces
Authors: Kunz Jana , Leroux Louise , Hasse Hans , Müller Ralf
Published: September 2024

Technical surfaces are generally not perfectly smooth, but usually exhibit roughness. Additionally, as micro production techniques continue to evolve, geometrical surface structures at the micro scale can be manufactured, which presents a challenge for wetting models that are commonly formulated for smooth surfaces. A phase field model for surface wetting, proposed by Diewald et al., serves as a basis for this investigation. On smooth surfaces, the width of the gas‐liquid interface can be widened for scale bridging purposes, as this allows for accurate computations on coarse grids. However, it was observed that this interface scaling impacts the results when the model is applied to rough surfaces, and therefore a free choice of the interface width is not always sensible. In this work, the ability of the model to deal with sinusoidally shaped surfaces is investigated. An Allen–Cahn evolution equation is used to determine static equilibrium configurations for droplets on such surfaces.
Molecular mechanisms for DNA methylation defects induced by ICF syndrome‐linked mutations in DNMT3B
Authors: Cho Chao‐Cheng , Fei Cheng‐Yin , Jiang Bo‐Chen , Yang Wei‐Zen , Yuan Hanna S.
Published: September 2024

DNA methyltransferase 3B (DNMT3B) plays a crucial role in DNA methylation during mammalian development. Mutations in DNMT3B are associated with human genetic diseases, particularly immunodeficiency, centromere instability, facial anomalies (ICF) syndrome. Although ICF syndrome‐related missense mutations in the DNMT3B have been identified, their precise impact on protein structure and function remains inadequately explored. Here, we delve into the impact of four ICF syndrome‐linked mutations situated in the DNMT3B dimeric interface (H814R, D817G, V818M, and R823G), revealing that each of these mutations compromises DNA‐binding and methyltransferase activities to varying degrees. We further show that H814R, D817G, and V818M mutations severely disrupt the proper assembly of DNMT3B homodimer, whereas R823G does not. We also determined the first crystal structure of the methyltransferase domain of DNMT3B‐DNMT3L tetrameric complex hosting the R823G mutation showing that the R823G mutant displays diminished hydrogen bonding interactions around T775, K777, G823, and Q827 in the protein‐DNA interface, resulting in reduced DNA‐binding affinity and a shift in sequence preference of +1 to +3 flanking positions. Altogether, our study uncovers a wide array of fundamental defects triggered by DNMT3B mutations, including the disassembly of DNMT3B dimers, reduced DNA‐binding capacity, and alterations in flanking sequence preferences, leading to aberrant DNA hypomethylation and ICF syndrome.
Multiresolution molecular dynamics simulations reveal the interplay between conformational variability and functional interactions in membrane‐bound cytochrome P450 2B4
Authors: Han Sungho Bosco , Teuffel Jonathan , Mukherjee Goutam , Wade Rebecca C.
Published: September 2024

Cytochrome P450 2B4 (CYP 2B4) is one of the best‐characterized CYPs and serves as a key model system for understanding the mechanisms of microsomal class II CYPs, which metabolize most known drugs. The highly flexible nature of CYP 2B4 is apparent from crystal structures that show the active site with either a wide open or a closed heme binding cavity. Here, we investigated the conformational ensemble of the full‐length CYP 2B4 in a phospholipid bilayer, using multiresolution molecular dynamics (MD) simulations. Coarse‐grained MD simulations revealed two predominant orientations of CYP 2B4's globular domain with respect to the bilayer. Their refinement by atomistic resolution MD showed adaptation of the enzyme's interaction with the lipid bilayer, leading to open configurations that facilitate ligand access to the heme binding cavity. CAVER analysis of enzyme tunnels, AquaDuct analysis of water routes, and Random Acceleration Molecular Dynamics simulations of ligand dissociation support the conformation‐dependent passage of molecules between the active site and the protein surroundings. Furthermore, simulation of the re‐entry of the inhibitor bifonazole into the open conformation of CYP 2B4 resulted in binding at a transient hydrophobic pocket within the active site cavity that may play a role in substrate binding or allosteric regulation. Together, these results show how the open conformation of CYP 2B4 facilitates the binding of substrates from and release of products to the membrane, whereas the closed conformation prolongs the residence time of substrates or inhibitors and selectively allows the passage of smaller reactants via the solvent and water channels.
Role of Glutathione in Parkinson's Disease Pathophysiology and Therapeutic Potential of Polyphenols
Authors: Niu Chengu , Dong Miaoxian , Niu Yingcai
Published: September 2024

Oxidative stress is recognized to have a central role in the initiation and progression of Parkinson's disease (PD). Within the brain, neurons are particularly sensitive to oxidation due in part to their weak intrinsic antioxidant defense. Theoretically, neurons mostly depend on neighboring astrocytes to provide antioxidant protection by supplying cysteine‐containing products for glutathione (GSH) synthesis. Astrocytes and neurons possess several amino acid transport systems for GSH and its precursors. Indeed, GSH is the most abundant intrinsic antioxidant in the central nervous system. The GSH depletion and/or alterations in its metabolism in the brain contribute to the pathogenesis of PD. Noteworthy, polyphenols possess potent antioxidant activity and can augment the GSH redox system. Numerous in vitro and in vivo studies have indicated that polyphenols exhibit potent neuroprotective effects in PD. Epidemiological studies have found an association between the consumption of dietary polyphenols and a lower PD risk. In this review, we summarize current knowledge on the biosynthesis and metabolism of GSH in the brain, with an emphasis on their contribution and therapeutic potential in PD. In particular, we focus on polyphenols that can increase brain GSH levels against PD. Furthermore, some current challenges and future perspectives for polyphenol‐based therapies are also discussed.
Nonlinear scenario‐based model predictive control for quadrotors with bidirectional thrust
Authors: Wehbeh Jad , Sharf Inna
Published: September 2024

The control of quadrotor vehicles under state and parameter uncertainty is a well studied problem that is vitally important to the deployment of these systems under real world conditions. In this article, we propose a linearization‐based extension to nonlinear systems of the existing scenario model predictive control (MPC) framework, which quantifies the impact of uncertainty on the vehicle dynamics through repeated sampling of the uncertainty space. Given the computational costs of such an approach, we also propose two simplifications of the scenario MPC algorithm that are significantly more tractable. In order to evaluate the performance of the algorithms, the specific problem of the control of a bidirectionally actuated quadrotor vehicle is considered. Simulations are carried out for each scenario MPC scheme as well as for a reference deterministic MPC scheme. When a sufficiently large sample count is considered, each of the scenario MPC algorithms achieves safer performance than the deterministic formulation without sacrificing any optimality. Additionally, the approximate solution techniques conclusively outperform the original nonlinear scenario MPC formulation for the same computational cost.