bluuebunny/crossref_metadata_2025_split huggingface dataset:
The combination of tumor mutational burden and T‐cell receptor repertoire predicts the response to immunotherapy in patients with advanced non–small cell lung cancer
Authors: Li Yalun , Ji Liyan , Zhang Yingqian , Zhang Jiexin , Reuben Alexandre , Zeng Hao , Huang Qin , Wei Qi , Tan Sihan , Xia Xuefeng , Li Weimin , Zhang Jianjun , Tian Panwen 
Published: June 2024

AbstractTumor mutational burden (TMB) and T‐cell receptor (TCR) might predict the response to immunotherapy in patients with non–small cell lung cancer (NSCLC). However, the predictive value of the combination of TMB and TCR was not clear. Targeted DNA and TCR sequencing were performed on tumor biopsy specimens. We combined TMB and TCR diversity into a TMB‐and‐TCR (TMR) score using logistic regression. In total, 38 patients with advanced NSCLC were divided into a discovery set (n = 17) and validation set (n = 21). A higher TMR score was associated with better response and longer progression‐free survival to immunotherapy in both the discovery set and validation set. The performance of TMR score was confirmed in the two external validation cohorts of 225 NSCLC patients and 306 NSCLC patients. Tumors with higher TMR scores were more likely to combine with LRP1B gene mutation (p = 0.027) and top 1% CDR3 sequences (p = 0.001). Furthermore, LRP1B allele frequency was negatively correlated with the top 1% CDR3 sequences (r = –0.55, p = 0.033) and positively correlated with tumor shrinkage (r = 0.68, p = 0.007). The TMR score could serve as a potential predictive biomarker for the response to immunotherapy in advanced NSCLC.
A machine learning‐based crystal graph network and its application in development of functional materials
Authors: Xu Gang , Xue You , Geng Xiaoxiao , Hou Xinmei , Xu Jinwu 
Published: June 2024

AbstractAn active area of MGI (Materials Genome Initiative)/MGE (Materials Genome Engineering) is to accelerate the development of new materials by means of active learning and “digital trial‐error” using a prediction model of material property. Machine learning methods have widely been employed for predicting crystalline materials properties with crystal graph neural networks (CGNN). The prediction accuracy of the state‐of‐the‐art (SOTA) CGNN models based on big models and big data is generally higher. However, for the development of some classes of materials, the datasets obtained by experiments are usually lacking due to costly experiments and measurement costs. The lack of datasets will impact the accuracy of CGNN models and may result in overfitting during training models. This paper proposes a simplified crystal graph convolutional neural network (S‐CGCNN) which possesses higher prediction accuracy while reducing the vast amount of train datasets and computation costs. The S‐CGCNN model has successfully predicted properties of crystalline materials, such as piezoelectric materials and dielectric materials, and increased the prediction accuracy up to 12%–20% than existing SOTA CGNN models. Furthermore, the distribution map between properties and compositions of materials has been built to screen the latent space of candidate materials efficiently by principal component analysis.
The role of angiotensin II type 1 receptor pathway in cerebral ischemia‒reperfusion injury: Implications for the neuroprotective effect of ARBs
Authors: Huang Shuhan , Zhang Meng 
Published: June 2024

AbstractCerebral ischemia–reperfusion (I/R) injury is a crucial factor that impacts the prognosis of recanalization therapy for acute ischemic stroke (AIS). It has been found that the brain renin–angiotensin system, especially the angiotensin II type 1 receptor (AT1R) pathway, plays a significant role in cerebral I/R injury. This pathway is involved in processes such as oxidative stress, neuroinflammation, apoptosis, and it affects cerebrovascular autoregulation and the maintenance of blood–brain barrier. AT1R blocker (ARB), widely used as an antihypertensive agent, has demonstrated stroke prevention capabilities in numerous prospective studies, independent of its antihypertensive characteristics. Studies focusing on neurological diseases like Alzheimer's disease, Parkinson's disease, and cognitive impairment have confirmed that ARBs exhibit neuroprotective effects and aid in improving neurological functions. Preclinical studies have shown that ARBs can reduce infarct volume and brain edema, inhibit multiple signaling pathways associated with I/R injury, restore energy levels in damaged brain regions, and rescue the penumbra by promoting neovascularization in cerebral I/R models. These findings suggest that ARBs have potential to become a novel category of neuroprotecting agents for clinical treatment of AIS. Therefore, this review primarily provides a theoretical foundation and practical evidence for the future clinical utilization of ARBs as neuroprotective agents following reperfusion therapy for AIS. It outlines the role of cerebral I/R injury through the AT1R pathway and highlights the research progress made on ARBs in I/R models.
Influence of ethylene diamine functionalized waste plastic derived reduced graphene oxide as filler on the mechanical and thermal properties of low‐density polyethylene
Authors: Arya Tanuja , Rawat Kundan Singh , Bohra Bhashkar Singh , Garwal Kamal , Negi Pushpa Bhakuni , Tewari Chetna , Jung Yong Chae , Sahoo Nanda Gopal 
Published: June 2024

AbstractReduced graphene oxide (rGO) was prepared from waste plastic using the two steps pyrolysis method and subsequently functionalized with ethylene diamine (EDA) to develop amino‐functionalized rGO (EDA‐rGO). To make the thermal and mechanical properties more proficient, EDA‐rGO was further incorporated as a nanofiller into a low‐density polyethylene (LDPE) matrix using the melt mixing method followed by hot‐pressing. A variety of analytical methods, such as FT‐IR, XRD, XPS, DSC, TGA, DMA, Raman spectroscopy, and HRTEM, were used to characterize the elements and morphology of rGO and EDA‐rGO. The results showed that the addition of 5 wt% EDA‐rGO to LDPE polymers significantly improved the mechanical and thermal properties, such as storage modulus by 62%, loss modulus by 67%, young's modulus by 123%, tensile strength by 79.83%, respectively. The thermal decomposition temperatures of 5%, 10% and 50% were increased by 14.01, 9.34, and 4.8°C, respectively. This study provides a feasible and ecologically sustainable way of repurposing plastic waste concurrently enhancing the properties of polymer composites.Highlights
Synthesis & functionalization of rGO from waste plastic using EDA.
EDA‐rGO used as a nanofiller to fabricate LDPE polymer nanocomposites.
EDA‐rGO enhanced the thermal stability of LDPE nanocomposites.
The tensile strength & modulus of the LDPE composites are greatly improved.
The storage, loss modulus, Tm and Tc enhanced by 62%, 67%, 4.4°C & 2.6°C.
Renal toxicity of Aconitum plants? A study based on a new mass spectrometry scanning strategy and computer virtual screening
Authors: Yin Yihui , Zhang Kai , Qi Yunpeng , Li Siyuan , Sun Yixuan , Luo Min , Fan Jiali , Zhu Bo , Yu Zhiying , Yang Jie , Li Fei , Xu Wenjuan , Dong Ling 
Published: June 2024

AbstractBackgroundRadix Aconiti Lateralis (Fuzi), a mono‐herbal preparation of Aconitum herbs in the genus Aconitum, is commonly used in traditional Chinese medicine (TCM) to treat critical illnesses. The curative effect of Fuzi is remarkable. However, the toxic effects of Fuzi are still a key clinical focus, and the substances inducing nephrotoxicity are still unclear. Therefore, this study proposes a research model combining “in vitro and in vivo component mining‐virtual multi‐target screening‐active component prediction‐literature verification” to screen potential nephrotoxic substances rapidly.MethodThe UHPLC‐Q‐Exactive‐Orbitrap MS analysis method was used for the correlation analysis of Fuzi's in vitro–in vivo chemical substance groups. On this basis, the key targets of nephrotoxicity were screened by combining online disease databases and a protein–protein interaction (PPI) network. The computer screening technique was used to verify the binding mode and affinity of Fuzi's components with nephrotoxic targets. Finally, the potential material basis of Fuzi‐induced nephrotoxicity was screened.ResultsEighty‐one Fuzi components were identified. Among them, 35 components were absorbed into the blood. Based on the network biology method, 21 important chemical components and three potential key targets were screened. Computer virtual screening revealed that mesaconine, benzoylaconine, aconitine, deoxyaconitine, hypaconitine, benzoylhypaconine, benzoylmesaconine, and hypaconitine may be potential nephrotoxic substances of Fuzi.ConclusionsFuzi may interact with multiple components and targets in the process of inducing nephrotoxicity. In the future, experiments can be designed to explore further. This study provides a reference for screening Fuzi nephrotoxic components and has certain significance for the safe use of Fuzi.
Ta4C3 Nanosheets as a Novel Therapeutic Platform for Photothermal‐Driven ROS Scavenging and Immune Activation against Antibiotic‐Resistant Infections in Diabetic Wounds
Authors: Wang Yapeng , Yang Jing , Ma Yunhong , Liu Jun , Wang Peng , Luo Junhao , Rui Yongjun , Wu Yongwei 
Published: June 2024

AbstractThe accumulation of excessive reactive oxygen species (ROS) and recurrent infections with drug‐resistant bacteria pose significant challenges in diabetic wound infections, often leading to impediments in wound healing. Addressing this, there is a critical demand for novel strategies dedicated to treating and preventing diabetic wounds infected with drug‐resistant bacteria. Herein, 2D tantalum carbide nanosheets (Ta4C3 NSs) have been synthesized through an efficient and straightforward approach, leading to the development of a new, effective nanoplatform endowed with notable photothermal properties, biosafety, and diverse ROS scavenging capabilities, alongside immunogenic attributes for diabetic wound treatment and prevention of recurrent drug‐resistant bacterial infections. The Ta4C3 NSs exhibit remarkable photothermal performance, effectively eliminating methicillin‐resistant Staphylococcus aureus (MRSA) and excessive ROS, thus promoting diabetic wound healing. Furthermore, Ta4C3 NSs enhance dendritic cell activation, further triggering T helper 1 (TH1)/TH2 immune responses, leading to pathogen‐specific immune memory against recurrent MRSA infections. This nanoplatform, with its significant photothermal and immunomodulatory effects, holds vast potential in the treatment and prevention of drug‐resistant bacterial infections in diabetic wounds.
Deciphering Sodium‐Ion Storage: 2D‐Sulfide versus Oxide Through Experimental and Computational Analyses
Authors: Sengupta Shilpi , Pramanik Atin , de Oliveira Caique Campos , Chattopadhyay Shreyasi , Pieshkov Tymofii , Autreto Pedro Alves da Silva , Ajayan Pulickel M. , Kundu Manab 
Published: June 2024

AbstractTransition metal derivatives exhibit high theoretical capacity, making them promising anode materials for sodium‐ion batteries. Sulfides, known for their superior electrical conductivity compared to oxides, enhance charge transfer, leading to improved electrochemical performance. Here, a hierarchical WS2 micro‐flower is synthesized by thermal sulfurization of WO3. Comprising interconnected thin nanosheets, this structure offers increased surface area, facilitating extensive internal surfaces for electrochemical redox reactions. The WS2 micro‐flower demonstrates a specific capacity of ≈334 mAh g−1 at 15 mA g−1, nearly three times higher than its oxide counterpart. Further, it shows very stable performance as a high‐temperature (65 °C) anode with ≈180 mAh g−1 reversible capacity at 100 mA g−1 current rate. Post‐cycling analysis confirms unchanged morphology, highlighting the structural stability and robustness of WS2. DFT calculations show that the electronic bandgap in both WS2 and WO3 increases when going from the bulk to monolayers. Na adsorption calculations show that Na atoms bind strongly in WO3 with a higher energy diffusion barrier when compared to WS2, corroborating the experimental findings. This study presents a significant insight into electrode material selection for sodium‐ion storage applications.
Algorithmic responsibility without accountability: Understanding data‐intensive algorithms and decisions in organisations
Authors: Besio Cristina , Fedtke Cornelia , Grothe‐Hammer Michael , Karafillidis Athanasios , Pronzini Andrea 
Published: June 2024

AbstractSocial science research has been concerned for several years with the issue of shifting responsibilities in organisations due to the increased use of data‐intensive algorithms. Much of the research to date has focused on the question of who should be held accountable when ‘algorithmic decisions’ turn out to be discriminatory, erroneous or unfair. From a sociological perspective, it is striking that these debates do not make a clear distinction between responsibility and accountability. In our paper, we draw on this distinction as proposed by the German social systems theorist Niklas Luhmann. We use it to analyse the changes and continuities in organisations related to the use of data‐intensive algorithms. We argue that algorithms absorb uncertainty in organisational decision‐making and thus can indeed take responsibility but cannot be made accountable for errors. By using algorithms, responsibility is fragmented across people and technology, while assigning accountability becomes highly controversial. This creates new discrepancies between responsibility and accountability, which can be especially consequential for organisations' internal trust and innovation capacities.
Stable Motions of High Energy Particles Interacting via a Repelling Potential
Authors: Rom-Kedar V. , Turaev D. 
Published: June 2024

AbstractThe motion of $$N$$
N
particles interacting by a smooth repelling potential and confined to a compact $$d$$
d
-dimensional region is proved to be, under mild conditions, non-ergodic for all sufficiently large energies. Specifically, choreographic solutions, for which all particles follow approximately the same path close to an elliptic periodic orbit of the single-particle system, are proved to be KAM stable in the high energy limit. Finally, it is proved that the motion of $$N$$
N
repelling particles in a rectangular box is non-ergodic at high energies for a generic choice of interacting potential: there exists a KAM-stable periodic motion by which the particles move fast only in one direction, each on its own path, yet in synchrony with all the other parallel moving particles.
Thermostable vacuum foam dried Newcastle disease vaccine: Process optimization and pilot-scale study
Authors: Lyu Fang , Zhao Yan-hong , Zuo Xiao-xin , Nyide Babalwa , Deng Bi-hua , Zhou Ming-xu , Hou Jibo , Jiao Jia-jie , Zeng Min-qian , Jie Hong-ying , Olaniran Ademola , Lu Yu , Khoza Thandeka 
Published: June 2024

Abstract
Vacuum foam drying (VFD) has been shown to improve the thermostability and long-term shelf life of Newcastle Disease Virus (NDV). This study optimized the VFD process to improve the shelf life of NDV at laboratory-scale and then tested the optimized conditions at pilot-scale. The optimal NDV to T5 formulation ratio was determined to be 1:1 or 3:2. Using the 1:1 virus to formulation ratio, the optimal filling volumes were determined to be 13–17% of the vial capacity. The optimized VFD process conditions were determined to be at a shelf temperature of 25℃ with a minimum overall drying time of 44 h. The vaccine samples prepared using these optimized conditions at laboratory-scale exhibited virus titer losses of ≤ 1.0 log10 with residual moisture content (RMC) below 3%. Furthermore, these samples were transported for 97 days around China at ambient temperature without significant titer loss, thus demonstrating the thermostability of the NDV-VFD vaccine. Pilot-scale testing of the NDV-VFD vaccine at optimized conditions showed promising results for up-scaling the process as the RMC was below 3%. However, the virus titer loss was slightly above 1.0 log10 (approximately 1.1 log10). Therefore, the NDV-VFD process requires further optimization at pilot scale to obtain a titer loss of ≤ 1.0 log10. Results from this study provide important guidance for possible industrialization of NDV-VFD vaccine in the future.

Key points
• The process optimization and scale-up test of thermostable NDV vaccine prepared through VFD is reported for the first time in this study.
• The live attenuated NDV-VFD vaccine maintained thermostability for 97 days during long distance transportation in summer without cold chain conditions.
• The optimized NDV-VFD vaccine preparations evaluated at pilot-scale maintained acceptable levels of infectivity after preservation at 37℃ for 90 days, which demonstrated the feasibility of the vaccine for industrialization.
Patient care and access to clinical trials in gynaecological oncology: global implications of the early phase of the COVID-19 pandemic
Authors: Nasser Sara , Fotopoulou Christina , Gültekin Murat , Dimitrova Desislava , Bilir Esra , Inci Gülhan , Morice Philippe , Mirza Mansoor Raza , Martin Antonio Gonzalez , Berek Jonathan , Sehouli Jalid ,   Collaborating Groups: European Network for Gynaecological Oncology Trials (ENGOT), European Society for Gynaecological Oncology (ESGO), Gynecological Cancer Intergroup (GCIG), Pan-Arabian Research Society for Gynecological Oncology (PARSGO), North-East German Gynecological Oncology Society (NOGGO)
Published: June 2024

Abstract
Purpose
Our prospective international survey evaluated the impact of the early phase of the COVID-19 pandemic on the management gynaecological malignancies from the multidisciplinary physicians’ perspective with particular focus on clinical infrastructures and trial participation.

Methods
Our survey consisted of 53 COVID-related questions. It was sent to healthcare professionals in gynaecological oncology centres across Europe and Pan-Arabian region via the study groups and gynaecological societies from April 2020 to October 2020. All healthcare professionals treating gynaecological cancers were able to participate in our survey.

Results
A total of 255 answers were collected from 30 countries. The majority (73%) of participants were gynaecological oncologists from university hospitals (71%) with at least an Intensive Care Unit with cardiopulmonary support available at their institutions. Most institutions continued to perform elective surgeries only for oncological cases (98%). Patients had to wait on average 2 weeks longer for their surgery appointments compared to previous years (range 0–12 weeks). Most cases that were prioritised for surgical intervention across all gynaecological tumours were early-stage disease (74%), primary situation (61%) and good ECOG status (63%). The radicality of surgery did not change in the majority of cases (78%) across all tumour types. During the pandemic, only 38% of clinicians stated they would start a new clinical trial. Almost half of the participants stated the pandemic negatively impacted the financial structure and support for clinical trials. Approximately 20% of clinicians did not feel well-informed regarding clinical algorithm for COVID-19 patients throughout the pandemic. Thirty percent stated that they are currently having trouble in providing adequate medical care due to staff shortage.

Conclusion
Despite well-established guidelines, pandemic clearly affected clinical research and patientcare. Our survey underlines the necessity for building robust emergency algorithms tailored to gynaecological oncology to minimise negative impact in crises and to preserve access to clinical trials.
Policies for aquifer thermal energy storage: international comparison, barriers and recommendations
Authors: Stemmle Ruben , Hanna Richard , Menberg Kathrin , Østergaard Poul Alberg , Jackson Matthew , Staffell Iain , Blum Philipp 
Published: June 2024

AbstractAquifer thermal energy storage (ATES) represents a promising solution for heating and cooling, offering lower greenhouse gas emissions and primary energy consumption than conventional technologies. Despite these benefits and the widespread availability of suitable aquifers, ATES has yet to see widespread utilisation, with uptake highly concentrated in select countries (Netherlands, Belgium, Sweden and Denmark). Beyond technical and hydrogeological feasibility, appropriate national policies are paramount in driving ATES deployment. This study provides an international comparison of ATES policies, highlighting best practices and revealing where measures are missing. It sources insights from a survey of experts across academia, industry and governmental bodies in 30 countries, complemented by semi-structured expert interviews. The study reveals significant differences in the existence and strength of supportive policy environments between countries with different ATES market maturity. A mere 33% of all survey respondents stated that there are policies designed to support ATES utilisation in their respective countries, while the existence of laws and regulations governing ATES was confirmed by 56% of the respondents. The interviews provide details on creating supportive environments (e.g. through facilitators like pre-existing groundwater technology use and building energy efficiency standards) and further barriers to ATES deployment. Ten recommendations for ATES policies are derived to address the following areas: legislative and regulatory issues, raising public awareness, ATES’ role in local energy transitions, and social engagement. This work aims to steer global policy towards better harnessing the potential of ATES to decarbonise buildings.
Graphical abstract
Solvency analysis of deferred annuities
Authors: Gasimova Khadija , Haberman Steven , Millossovich Pietro 
Published: June 2024

AbstractWhile the solvency analysis of immediate life annuity portfolios has been extensively studied, the case of deferred annuities has received comparatively much less attention. We assess the importance and effect of stochastic mortality models and interest rates on the solvency analysis of a portfolio of deferred annuity contracts. Our analysis considers three steps: first, the benchmark case where mortality rates and interest rates are both deterministic; then, the case in which only mortality rates are stochastic is explored; finally, the full model where both mortality rates and interest rates are stochastic. The results demonstrate the model risk stemming from the uncertainty in the mortality models and its impact on the evaluation of solvency margins for life annuities. The role of the deferment period is thoroughly discussed and compared to the case of immediate annuities.