bluuebunny/crossref_metadata_2025_split huggingface dataset:
Online monitoring of the respiration activity in 96‐deep‐well microtiter plate Chinese hamster ovary cultures streamlines kill curve experiments
Authors: Neuss Anne , von Vegesack Nele , Liepelt Raoul , Büchs Jochen , Barsett Magnus Jørgen 
Published: April 2024

AbstractCell line generation of mammalian cells is a time‐consuming and labor‐intensive process, especially because of challenges in clone selection after transfection. Antibiotics are common selection agents for mammalian cells due to their simplicity of use. However, the optimal antibiotic concentration must be determined with a kill curve experiment before clone selection starts. The traditional kill curve experiments are resource‐intensive and time‐consuming due to necessary sampling and offline analysis effort. This study, thus, explores the potential of online monitoring the oxygen transfer rate (OTR), as a non‐invasive and efficient alternative for kill curve experiments. The OTR is monitored using the Transfer‐rate Online Measurement (TOM) system and the micro(μ)‐scale Transfer‐rate Online Measurement (μTOM) device, which was used for mammalian cells first. It could be shown that the OTR curves for both devices align perfectly, affirming consistent cultivation conditions. The μTOM device proves effective in performing kill curve experiments in 96‐deep‐well plates without the need for sampling and offline analysis. The streamlined approach reduces medium consumption by 95%, offering a cost‐effective and time‐efficient solution for kill curve experiments. The study validates the generalizability of the method by applying it to two different CHO cell lines (CHO‐K1 and sciCHO) with two antibiotics (puromycin and hygromycin B) each. In conclusion, the broad application of OTR online monitoring for CHO cell cultures in 96‐deep‐well plates is highlighted. The μTOM device proves as a valuable tool for high‐throughput experiments, paving the way for diverse applications, such as media and clone screening, cytotoxicity tests, and scale‐up experiments.
Sulfated Polysaccharides with Anticoagulant Potential: A Review Focusing on Structure‐Activity Relationship and Action Mechanism
Authors: Chen Qianfeng , Zhang Mengjiao , Liu Yue , Liu Wei , Peng Cheng , Zheng Lixue 
Published: April 2024

AbstractThromboembolism is the culprit of cardiovascular diseases, leading to the highest global mortality rate. Anticoagulation emerges as the primary approach for managing thrombotic conditions. Notably, sulfated polysaccharides exhibit favorable anticoagulant efficacy with reduced side effects. This review focuses on the structure‐anticoagulant activity relationship of sulfated polysaccharides and the underlying action mechanisms. It is concluded that chlorosulfonicacid‐pyridine method serves as the preferred technique to synthesize sulfated polysaccharides. The anticoagulant activity of sulfated polysaccharides is linked to the substitution site of sulfate groups, degree of substitution, molecular weight, main side chain structure, and glycosidic bond conformation. Moreover, sulfated polysaccharides exert anticoagulant activity via various pathways, including the inhibition of blood coagulation factors, activation of antithrombin III and heparin cofactor II, antiplatelet aggregation, and promotion of the fibrinolytic system.
Molecular Dyad vs Multi‐Component Approach‐Photocatalytic Hydrogen Evolution by Combining Oligothiophene Photosensitizers with [FeFe]‐Hydrogenase Mimics
Authors: Kasahara Chizuru , Rediger Katharina , Micheel Mathias , Liebing Phil , Gräfe Stefanie , Kupfer Stephan , Wächtler Maria , Weigand Wolfgang 
Published: April 2024

AbstractA molecular dyad (PS‐CAT) consisting of a metal‐free photosensitiser (PS) and a [FeFe]‐hydrogenase‐inspired [Fe2S2] cluster (CAT) has been synthesized for hydrogen evolution under visible light irradiation. The electrochemical properties of PS‐CAT in the absence and presence of acid were investigated by CV and IR‐SEC. The ground state and excited state photophysical properties of PS and PS‐CAT, and the non‐chemically connected reference system [PS, CAT] were investigated to elucidate the effect of a covalent linkage between PS and CAT on the electronic communication and hence on the catalytic performance. The photo‐relaxation pathway of PS‐CAT was revealed computationally by scalar‐relativistic time‐dependent density functional theory simulations. These studies are complemented by comparative analyses of photocatalytic hydrogen evolution between PS‐CAT and [PS, CAT] under visible light irradiation.
Improving Oxidative Catalytic Efficiency for Fuels Desulfurization Using Hybrid Materials Based in MOF‐808@SBA‐15
Authors: Fernandes Simone C. , Leo Pedro , Santos‐Vieira Isabel , de Castro Baltazar , Cunha‐Silva Luís , Balula Salete S. 
Published: April 2024

AbstractThis work unveils a route for a new generation of heterogeneous polyoxometalate (POMs) based catalysts associated to the preparation of hybrid materials as a triad of POMs, mesoporous silica (SBA‐15) and microporous MOF structures (MOF‐808). The prepared catalyst, PMo12@MOF‐808@SBA‐15, with the main active center the phosphomolybdic acid (PMo12), was successfully applied for the desulfurization of a multicomponent fuel. Its oxidative catalytic performance showed to be considerable superior to the isolated POM@MOF and able to be recycled for more catalytic cycles without active loss. The higher catalytic performance seems to be directly related with the preparation of a more amorphous MOF structure within the channels of SBA‐15, in the presence of active POM guests.
Theoretical Calculation Assisted by Machine Learning Accelerate Optimal Electrocatalyst Finding for Hydrogen Evolution Reaction
Authors: Zhang Yuefei , Liu Xuefei , Wang Wentao 
Published: April 2024

AbstractElectrocatalytic hydrogen evolution reaction (HER) is a promising strategy to solve and mitigate the coming energy shortage and global environmental pollution. Searching for efficient electrocatalysts for HER remains challenging through traditional trial‐and‐error methods from numerous potential material candidates. Theoretical high throughput calculation assisted by machine learning is a possible method to screen excellent HER electrocatalysts effectively. This will pave the way for high‐efficiency and low‐price electrocatalyst findings. In this review, we comprehensively introduce the machine learning workflow and standard models for hydrogen reduction reactions. This mainly illustrates how machine learning is used in catalyst filtration and descriptor exploration. Subsequently, several applications, including surface electrocatalysts, two‐dimensional (2D) electrocatalysts, and single/dual atom electrocatalysts using machine learning in electrocatalytic HER, are highlighted and introduced. Finally, the corresponding challenge and perspective for machine learning in electrocatalytic hydrogen reduction reactions are concluded. We hope this critical review can provide a comprehensive understanding of machine learning for HER catalyst design and guide the future theoretical and experimental investigation of HER catalyst findings.
“How much is your outfit?” – An interactive exhibition on the subject of sustainable textiles for chemistry education and beyond
Authors: Hager Sascha , Amel Henning , Beeken Marco 
Published: April 2024

AbstractHinsichtlich konkreter ökologischer, ökonomischer und sozialer Folgen der Textilwirtschaft bedarf es Bildung(‐smaßnahmen) im Bereich nachhaltiger Textilien. Für diesen Themenkomplex wurde mit dem TextilLab eine interaktive Ausstellung (nicht nur) für den Chemieunterricht konzipiert. An der Schnittstelle zwischen naturwissenschaftlicher und gesellschaftlicher Bildung wurde ein außerschulischer Lernort gestaltet, an dem Schüler:innen in einem Stationenlernen die Wertschöpfungskette von Textilien und Kleidung nachvollziehen können. Dabei wurden neben Experimenten interaktive Elemente in die einzelnen Stationen eingebettet, um ein individuelles Lernen zu ermöglichen und die Zugänglichkeit der Inhalte zu steigern. Ausgehend von der zentralen Bedeutung der Textil‐ und Modeindustrie für Ökologie, Ökonomie und Gesellschaft können und sollen interaktive Ausstellungen wie das TextilLab gesamtgesellschaftliches und generationenübergreifendes Interesse wecken und zur Auseinandersetzung mit nachhaltigen Textilien anregen.
Network‐based identification of key proteins and repositioning of drugs for non‐small cell lung cancer
Authors: Adeyemo Oluwatosin Maryam , Ashimiyu‐Abdusalam Zainab , Adewunmi Mary , Ayano Temitope Ayanfunke , Sohaib Muhammad , Abdel‐Salam Reem 
Published: April 2024

AbstractBackgroundNSCLC is a lethal cancer that is highly prevalent and accounts for 85% of cases of lung cancer. Conventional cancer treatments, such as chemotherapy and radiation, frequently exhibit limited efficacy and notable adverse reactions. Therefore, a drug repurposing method is proposed for effective NSCLC treatment.AimsThis study aims to evaluate candidate drugs that are effective for NSCLC at the clinical level using a systems biology and network analysis approach.MethodsDifferentially expressed genes in transcriptomics data were identified using the systems biology and network analysis approaches. A network of gene co‐expression was developed with the aim of detecting two modules of gene co‐expression. Following that, the Drug–Gene Interaction Database was used to find possible drugs that target important genes within two gene co‐expression modules linked to non‐small cell lung cancer (NSCLC). The use of Cytoscape facilitated the creation of a drug–gene interaction network. Finally, gene set enrichment analysis was done to validate candidate drugs.ResultsUnlike previous research on repositioning drugs for NSCLC, which uses a gene co‐expression network, this project is the first to research both gene co‐expression and co‐occurrence networks. And the co‐occurrence network also accounts for differentially expressed genes in cancer cells and their adjacent normal cells. For effective management of non‐small cell lung cancer (NSCLC), drugs that show higher gene regulation and gene affinity within the drug–gene interaction network are thought to be important. According to the discourse, NSCLC genes have a lot of control over medicines like vincristine, fluorouracil, methotrexate, clotrimazole, etoposide, tamoxifen, sorafenib, doxorubicin, and pazopanib.ConclusionHence, there is a possibility of repurposing these drugs for the treatment of non‐small‐cell lung cancer.
Haploidentical and matched unrelated donor allogeneic hematopoietic stem cell transplantation offer similar survival outcomes for acute leukemia
Authors: Wang Yin‐Che , Lai Cheng‐Lun , Chen Tsung‐Chih , Gau Jyh‐Pyng , Teng Chieh‐Lin Jerry 
Published: April 2024

AbstractBackgroundHaploidentical hematopoietic stem cell transplantation (haplo‐HSCT) has emerged as an effective approach for acute leukemia, primarily due to the inherent difficulty in finding human leukocyte antigen‐matched unrelated donors (MUD). Nevertheless, it remains uncertain whether haplo‐HSCT and MUD‐HSCT can provide comparable outcomes in patients with acute leukemia.AimsThis study aimed to assess the overall survival (OS) and leukemia‐free survival (LFS) outcomes between the MUD‐HSCT and haplo‐HSCT groups.Methods and resultsThis retrospective analysis encompassed adult patients with acute leukemia undergoing the initial allo‐HSCT. Among these 85 patients, we stratified 33 patients into the MUD‐HSCT group and 52 to the haplo‐HSCT group. The primary outcomes were OS and LFS. The median OS was not reached in the haplo‐HSCT group, while it reached 29.8 months in patients undergoing MUD‐HSCT (p = .211). Likewise, the median LFS periods were 52.6 months in the haplo‐HSCT group and 12.7 months in the MUD‐HSCT group (p = .212). Importantly, neither the OS nor LFS showed substantial differences between the MUD‐HSCT and haplo‐HSCT groups. Furthermore, univariate analyses revealed that haplo‐HSCT did not demonstrate a significantly higher risk of worse LFS (hazard ratio [HR], 0.69; 95% confidence interval [CI], 0.38–1.25; p = .216) or OS (HR, 0.67; 95% CI, 0.36–1.26; p = .214) than MUD‐HSCT. Notably, a high European Group for Blood and Marrow Transplantation risk score (HR, 1.44; 95% CI, 1.10–1.87; p = .007) and non‐complete remission (HR, 2.48; 95% CI, 1.17–5.23; p = .017) were significantly correlated with worse OS.ConclusionHaplo‐HSCT may serve as an alternative to MUD‐HSCT for the treatment of acute leukemia, offering similar survival outcomes.
The influence of rurality on melanoma diagnosis in Indiana: A retrospective cohort study
Authors: Xue Gloria R. , Clark Marie , Morr Claudia , Slaven James E. , Que Syril Keena T. 
Published: April 2024

AbstractBackgroundResearch from across the United States has shown that rurality is associated with worse melanoma outcomes. In Indiana, nearly a quarter of all residents live in rural counties and an estimated 2180 cases of melanoma will be diagnosed in 2023.AimsThis study examines how geographical location affects the stage of melanoma diagnosis in Indiana, aiming to identify and address rural health disparities to ultimately ensure equitable care.Methods and ResultsDemographics and disease characteristics of patients diagnosed with melanoma at Indiana University Health from January 2017 to September 2022 were compared using Students t‐tests, Wilcoxon tests, chi‐squared or Fisher's exact tests. Patients from rural areas presented with more pathological stage T3 melanomas (15.0% vs. 3.5%, p < 0.001) in contrast to their urban counterparts. Additionally, rural patients presented with fewer clinical stage I melanomas (80.8% vs. 89.3%) and more clinical stage II melanomas (19.2% vs. 8.1%), compared to urban patients, with no stage III (p = 0.028). Concerningly, a significantly higher percentage of the rural group (40.7%) had a personal history of BCC compared to the urban group (22.6%) (p = 0.005) and fewer rural patients (78.0%) compared to urban patients (89.4%) received surgical treatment (p = 0.016).ConclusionPatients from rural counties in Indiana have higher pathological and clinical stage melanoma at diagnosis compared to patients from urban counties. Additionally fewer rural patients receive surgical treatment and may be at higher risk of developing subsequent melanomas.
Reaction Mechanism Catalyzed by the Dissimilatory Sulfite Reductase – The Role of the Siroheme‐[4FeS4] Cofactor
Authors: Wójcik‐Augustyn Anna , Johansson A. Johannes , Borowski Tomasz 
Published: April 2024

AbstractThe present work is another part of our investigation on the pathway of dissimilatory sulfate reduction and covers a theoretical study on the reaction catalyzed by dissimilatory sulfite reductase (dSIR). dSIR is the terminal enzyme involved in this metabolic pathway, which uses the siroheme‐[4Fe4S] cofactor for six‐electron reduction of sulfite to sulfide. In this study we use a large cluster model containing siroheme‐[4Fe4S] cofactor and protein residues involved in the direct interactions with the substrate, to get insight into the most feasible reaction mechanism and to understand the role of each considered active site component. In combination with earlier studies reported in the literature, our results lead to several interesting insights. One of the most important conclusions is that the reaction mechanism consists of three steps of two‐electron reduction of sulfur and the probable role of the siroheme‐[4Fe4S] cofactor is to ensure the delivery of packages of two electrons to the reactant.
Physical Exercise Transforms the Topography and Increases the Invulnerability of the Symptom Network of Depression–Anxiety in the Elderly
Authors: Zhang Weixia , Zhang Kechuang , Yang Mengbi , Si Shubin 
Published: April 2024

ABSTRACTBackground and ObjectivesDepression and anxiety often co‐occur and have worse impacts on the elderly when experienced simultaneously. Although physical exercise may alleviate depression and anxiety, how it affects the specific symptoms is not fully understood.MethodsA total of 8884 participants was selected from the 2018 CLHLS database. The 10‐item Center for Epidemiologic Studies Depression Scale (CESD‐10) and the Generalized Anxiety Disorder Scale–7 (GAD‐7) were used to assess depression and anxiety, respectively. Participants were divided into the exercise and the nonexercise groups using propensity score matching to minimize the influence of confounding variables. Depression–anxiety symptom networks were constructed, and network indexes were computed for each group, based on various packages of R. By computing network connectivity, invulnerability simulation was used to investigate the role of physical exercise in network robustness.ResultsBoth groups had D3 (sad mood), A4 (trouble relaxing) and A2 (uncontrollably worry) as central symptoms. In the exercise group, A1 (nervousness), A3 (too much worry) and D1 (bothered by little things) were the strongest bridge nodes. In the nonexercise group, A1 (nervousness), D1 (bothered by little things) and A4 (trouble relaxing) played this role. Participation in physical exercise decreased the centrality of D9 (cannot get doing) but increased the centrality of A3 (too much worry). Furthermore, the exercise group had higher network invulnerability than the nonexercise group under random attack conditions.ConclusionsPhysical exercise affected core symptoms of depression–anxiety and the interactions of symptoms. Targeting central or bridge nodes may be an effective intervention for alleviating the comorbidity. Increased network invulnerability manifested the positive effects of physical exercise.
Dual‐input step‐up switched‐capacitor multilevel inverter with reduced voltage stress on devices
Authors: Ghelichi Armin , Varesi Kazem , Zeinaly Amirhossein , Prabhakar Mahalingam 
Published: April 2024

SummaryThis paper proposes a single‐phase dual‐input step‐up switched‐capacitor multilevel inverter that employs three capacitors, 15 switches, and two diodes to provide 13 voltage levels and triple‐voltage boosting factor in its symmetric form and 37 levels with voltage boosting factor of 3.6 in its asymmetric version. This high boosting factor is accomplished without utilizing any transformer. For each output voltage level, there exists flow paths for both the positive and negative load current directions, which makes the proposed inverter capable of supplying any load type with variety of power factors (zero to unity). The voltage balancing of the capacitors takes place naturally, which tackles the need to auxiliary charge‐balancing circuits or control mechanisms. The proposed inverter can generate negative levels without the end‐side H‐bridge. Moreover, the voltage stress on the semiconductor devices is less than the peak output voltage. The increased number of levels and sinusoidal‐like waveform of the output voltage waveform enhances the quality and lowers the harmonic content of the load voltage and current waveforms, even for resistive loads. As the result, the load‐side filter can be downsized or removed. This paper employs the fundamental frequency method (FFM) as the switching technique, which is simple to implement and also operates the switches at low frequencies, leading to lower switching losses. The ascendancy of proposed inverter over similar counterparts has been investigated through comprehensive comparative analysis. Moreover, the correct performance of the proposed inverter at different modulation indices, and load types as well as during dynamic load changes has been verified by simulation and experimental analysis.
Alternative routine for reporting chiral amphetamine test results in assessment of attention‐deficit/hyperactivity disorder medication: experiences from 2013 to 2023
Authors: Helander Anders , Andersson Annika , Villén Tomas 
Published: April 2024

AbstractThis study evaluated an alternative routine for reporting urinary chiral amphetamine results in assessment of attention‐deficit/hyperactivity disorder (ADHD) treatment with amphetamine medications and for detecting side‐use of illicit racemic amphetamine. Currently in Sweden, only enantiopure d‐amphetamine‐based ADHD medications (lisdexamphetamine dimesylate and dexamphetamine sulfate) are approved. It is therefore unsuitable to express the chiral result as the l/d‐ratio, as before, because l‐amphetamine should not be present provided treatment compliance. A new routine for LC‐MS/MS chiral amphetamine testing was therefore introduced in 2020, whereby the relative proportion (%) of l‐amphetamine and the total amphetamine and creatinine concentrations are reported. Evaluation of the new routine on 24,354 results from 2013 to 2023 revealed that it was useful to distinguish ADHD medication adherence from illicit drug use as the source for a positive test. The l‐amphetamine proportion also reflected the enantiomeric content of the medications used. Overall, most results confirmed adherence to ADHD medication, as the l‐amphetamine percentage was <1% in 76% of samples (2023) which is the recommended cutoff with enantiopure d‐amphetamine medications. However, in all years, illicit drug use was indicated (>40% l‐amphetamine) in 8.3%–14.5% of cases. In conclusion, this study demonstrated the clinical value and utility of a new routine for reporting urinary chiral amphetamine results to differentiate adherence to ADHD medication from illicit drug use. Unlike the l/d‐amphetamine ratio, it considers differences in total amphetamine concentration and urine dilution, factors that can affect the interpretation.
Urbanization exacerbates climate sensitivity of eastern United States broadleaf trees
Authors: Warner Kayla , Sonti Nancy Falxa , Cook Elizabeth M. , Hallett Richard A. , Hutyra Lucy R. , Reinmann Andrew B. 
Published: April 2024

AbstractTree growth is a key mechanism driving carbon sequestration in forest ecosystems. Environmental conditions are important regulators of tree growth that can vary considerably between nearby urban and rural forests. For example, trees growing in cities often experience hotter and drier conditions than their rural counterparts while also being exposed to higher levels of light, pollution, and nutrient inputs. However, the extent to which these intrinsic differences in the growing conditions of trees in urban versus rural forests influence tree growth response to climate is not well known. In this study, we tested for differences in the climate sensitivity of tree growth between urban and rural forests along a latitudinal transect in the eastern United States that included Boston, Massachusetts, New York City, New York, and Baltimore, Maryland. Using dendrochronology analyses of tree cores from 55 white oak trees (Quercus alba), 55 red maple trees (Acer rubrum), and 41 red oak trees (Quercus rubra) we investigated the impacts of heat stress and water stress on the radial growth of individual trees. Across our three‐city study, we found that tree growth was more closely correlated with climate stress in the cooler climate cities of Boston and New York than in Baltimore. Furthermore, heat stress was a significant hindrance to tree growth in higher latitudes while the impacts of water stress appeared to be more evenly distributed across latitudes. We also found that the growth of oak trees, but not red maple trees, in the urban sites of Boston and New York City was more adversely impacted by heat stress than their rural counterparts, but we did not see these urban–rural differences in Maryland. Trees provide a wide range of important ecosystem services and increasing tree canopy cover was typically an important component of urban sustainability strategies. In light of our findings that urbanization can influence how tree growth responds to a warming climate, we suggest that municipalities consider these interactions when developing their tree‐planting palettes and when estimating the capacity of urban forests to contribute to broader sustainability goals in the future.