bluuebunny/crossref_metadata_2025_split huggingface dataset:
A multistep method for steady‐state Monte Carlo simulations of polymerization processes
Authors: Liu Rui , Lin Xiaowen , Armaou Antonios , Chen Xi 
Published: November 2022

AbstractIdentifying the microscopic information of polymers is of great significance for polymerization processes. Monte Carlo (MC) simulation is a powerful tool to predict the microscopic structure of polymers. Currently, most MC methods are designed for dynamic polymerization processes based on time evolution. The study on MC simulation for steady‐state processes is scarce and current approaches face challenges in addressing complex mechanisms. In this work, a multistep method is proposed for the steady‐state MC simulation. By introducing the “buffer pool” concept, the proposed method is computationally efficient and flexible to derive accurate predictions for processes with various polymerization mechanisms. Three applications with increasing complexity in the kinetic mechanisms, including both linear and branching polymerizations, are presented to demonstrate the applicability of the proposed method.
Biological distances between Late Holocene hunter‐gatherers from the lower Paraná wetland (Argentina)
Authors: Mazza Bárbara 
Published: November 2022

AbstractIntroductionThis study assesses the biological affinity between Late Holocene hunter‐gatherers that inhabited the region of the lower Paraná wetland (Argentina) at the end of the Late Holocene (1800–700 years BP).MethodsCranial nonmetric traits were registered in 159 adult individuals of both sexes. Biodistances were estimated between environmental and archaeological units through Smith's Mean Measure of Divergence, Mahalanobis distance, multidimensional scaling, Fst index, and R‐matrix. Biological distances concerning temporal and geographic distances between the archaeological sites were also evaluated through Mantel and partial Mantel tests.ResultsThe environmental units showed statistically significant biodistances according to a distance spatial pattern but low genetic differentiation between groups. Additionally, some archaeological sites with median radiocarbon dates around 700 years BP also presented statistically significant biodistances.ConclusionsGene flow and genetic drift could be responsible for the observed biodistance results. These processes gave rise to different subpopulations of hunter‐gatherers with a shared material culture, whose territorial limits could have been reinforced around 700 years BP or earlier.
Dodecenyl succinic‐β‐cyclodextrin with high degree of substitution: Synthesis, characterization and evaluation
Authors: Niu Chunmei , An Yingjie , Yang Yuxuan , Wang Ruolin , Li Tiantian 
Published: November 2022

Abstractβ‐cyclodextrin (β‐CD) has the characteristics of safety, non‐toxicity, and a wide range of sources. It can be used in improving surface activity. However, due to the limitation of molecular polarity and solubility, its surface activity and emulsification ability are weak. Therefore, it is necessary to improve adsorption capacity on phase interface by hydrophobic modification. In this article, dodecenyl succinic‐β‐cyclodextrin (DDS‐β‐CD) with different substitution degree was prepared by esterification of β‐CD with dodecenyl succinic anhydride (DDSA) as the esterifying agent. The product was characterized by FT‐IR, 1H NMR, SEM, and TGA, respectively. Results showed that DDS was successfully introduced into β‐CD. Both the degree of substitution (DS) and productivity (P) increased with the addition of DDSA and can reach 0.283 and 85.8%, respectively, when the molar ratio of DDSA to β‐CD was 3:1. The modified cyclodextrin showed lower surface tension and higher foaming ability. Compared with octenyl succinic‐β‐cyclodextrin (OS‐β‐CD), it was found that the length of hydrophobic segment had a significant effect on the surface tension. Due to its unique properties, it can be used as a good emulsifier for oil‐in‐water emulsions and a host material for lavender flavor.
LAGOS‐AND: A large gold standard dataset for scholarly author name disambiguation
Authors: Zhang Li , Lu Wei , Yang Jinqing 
Published: November 2022

AbstractIn this article, we present a method to automatically build large labeled datasets for the author ambiguity problem in the academic world by leveraging the authoritative academic resources, ORCID and DOI. Using the method, we built LAGOS‐AND, two large, gold‐standard sub‐datasets for author name disambiguation (AND), of which LAGOS‐AND‐BLOCK is created for clustering‐based AND research and LAGOS‐AND‐PAIRWISE is created for classification‐based AND research. Our LAGOS‐AND datasets are substantially different from the existing ones. The initial versions of the datasets (v1.0, released in February 2021) include 7.5 M citations authored by 798 K unique authors (LAGOS‐AND‐BLOCK) and close to 1 M instances (LAGOS‐AND‐PAIRWISE). And both datasets show close similarities to the whole Microsoft Academic Graph (MAG) across validations of six facets. In building the datasets, we reveal the variation degrees of last names in three literature databases, PubMed, MAG, and Semantic Scholar, by comparing author names hosted to the authors' official last names shown on the ORCID pages. Furthermore, we evaluate several baseline disambiguation methods as well as the MAG's author IDs system on our datasets, and the evaluation helps identify several interesting findings. We hope the datasets and findings will bring new insights for future studies. The code and datasets are publicly available.
Recent advances in the synthesis of layered double hydroxides nanosheets
Authors: Xie Jing , Khalid Zubair , Oh Jae‐Min 
Published: November 2022

AbstractLayered double hydroxide (LDH) with characteristic two‐dimensional structure and positive layer charge has attracted attention in a wide range of applications in recent years. Although LDH with a layer‐by‐layer structure has high applicability as a catalyst, adsorbent, drug reservoir, and so on, it has been suggested that the single‐layered LDH nanosheets not only enhance the performance but also expand the application in electrocatalyst, batteries, and supercapacitors due to the increased active sites in nanosheets. In this review, we introduced state of the art in the synthesis of LDH nanosheets in terms of synthesis approaches, mechanisms, and properties of thus obtained LDH nanosheets. The synthesis approaches are primarily categorized into two parts, namely, top‐down synthesis to delaminate bulk LDH and bottom‐up synthesis to obtain single‐layer LDH in limited space. In the first section, the exfoliation of LDH, which was realized by weakening the layer‐by‐layer stacking and by increasing the basal distance, was summarized mainly based on the swelling mechanism. In the second section, the bottom‐up syntheses of LDH nanosheets through controlled crystal growth in confined space or restricted synthetic conditions are introduced.
Co‐delivery of dendritic cell vaccine and anti‐PD‐1 antibody with cryomicroneedles for combinational immunotherapy
Authors: Chang Hao , Wen Xueyu , Li Zhiming , Ling Zhixin , Zheng Yanting , Xu Chenjie 
Published: November 2022

AbstractCombinational immunotherapy of dendritic cell (DC) vaccines and anti‐programmed cell death protein 1 antibodies (aPD1) has been regarded as a promising strategy for cancer treatment because it not only induces tumor‐specific T cell immune responses, but also prevents failure of T cell functions by the immune suppressive milieu of tumors. Microneedles have emerged as an innovative platform for efficient transdermal immunotherapies. However, co‐delivery of DC vaccines and aPD1 via microneedles has not been studied since conventional microneedle platforms are unsuitable for fragile therapeutics like living cells and antibodies. This study employs our newly invented cryomicroneedles (cryoMNs) to co‐deliver DC vaccines and aPD1 for the combinational immunotherapy. CryoMNs are fabricated by stepwise cryogenic micromoulding of cryogenic medium with pre‐suspended DCs and aPD1, which are further integrated with a homemade handle for convenient application. The viability of DCs in cryoMNs remains above 85%. CryoMNs are mechanically strong enough to insert into porcine and mouse skin, successfully releasing DCs and aPD1 inside skin tissue after melting. Co‐delivery of ovalbumin (OVA)‐pulsed DCs (OVA‐DCs) and aPD1 via cryoMNs induced higher antigen‐specific cellular immune responses compared with the mono‐delivery of OVA‐DCs or aPD1. Finally, administration with cryoMNs co‐encapsulated with OVA‐DCs and aPD1 increases the infiltration of effector T cells in the tumor, resulting in stronger anti‐tumor therapeutic efficacy in both prophylactic and therapeutic melanoma models compared with administration with cryoMNs loaded with OVA‐DCs or aPD1. This study demonstrates the great potential of cryoMNs as a co‐delivery system of therapeutic cells and biomacromolecules for combinational therapies.
Numerical Simulation of Mixing between Sequential Fluids in a Pipeline Considering Real Conditions
Authors: Hamidi Vali , Hajidavalloo Ebrahim , Behbehani-Nejad Morteza 
Published: November 2022

AbstractThe mixing behavior of two sequential petroleum products resulting from convection and diffusion mechanisms was numerically modeled. To this end, the initial mixing that happens during the fluid change in the pipeline was considered. A numerical code was also developed, and two‐dimensional volume fraction variations of a 100‐m‐long, 16‐in‐diameter pipe were calculated. The model was validated by comparison with field data in a real pipeline. The results showed a significant difference in mixing length between the old and new conditions. When the actual conditions were used, the error in the results was reduced from 62 to 12 %. Overall, it was discovered that if available correlations are modified on the basis of the initial mixing, they can also produce good results in short pipelines.
Tunicate Henry gas solubility optimization‐based deep residual network for fruit ripeness classification
Authors: Arumugasamy Muthulakshmi , Arokiasamy Antonidoss 
Published: November 2022

SummaryFruits are considered a significant component to offer humans adequate nutrients, like carbohydrates, vitamins, and dietary fiber but the ripening of fruits is a major issue as the ripening of fruits is detected considering more or less time based on microclimate conditions. This article proposes a new technique to classify fruit ripening using the deep model. Here, the input images like mango, apple, and banana are fed to preprocessing phase wherein Gaussian filtering is adapted to eliminate unwanted distortions. Features like color histogram, histogram of gradients, statistical features, local Gabor binary patterns, significant local binary pattern, and convolution neural network (CNN) features are mined to classify fruit. The DCNN training is done with the adopted tunicate‐based Henry gas solubility optimization algorithm (THGSO) obtained by integrating the tunicate swarm algorithm and Henry gas solubility optimization (HGSO). Then, ripening classification is done with deep residual network (DRN). The DRN training is done using the adopted THGSO. The adopted THGSO‐based DRN presented developed fruit classification performance with elevated accuracy 91.4%, sensitivity 92.5%, and specificity 87.5%. The adopted THGSO‐based DRN provided improved fruit ripening performance with maximum accuracy 92.5%, sensitivity 93.5%, and specificity 90.5%.
Simulation method for infrared radiation transmission characteristics of typical ship targets based on optical remote sensing
Authors: Jiang Zhengjie , Xu Ming , Shi Hao , Chen Liang 
Published: November 2022

SummaryIn order to meet the needs of the application of optical detection and recognition of ship targets in complex sea environment, based on the full link of optical remote sensing detection, the radiation transmission mechanism of ship target characteristics is analyzed. Then, the radiation characteristics model of ship target, the radiation model of ship target thermal wake, and the radiation characteristics model of sea background are established, and the simulation calculation of focal plane radiation characteristics for sea surface ship target is realized according to the space‐based detection and imaging mechanism; Finally, based on the simulation calculation model, the variation law of ship target radiation characteristics under different sea surface conditions and different imaging time are analyzed, which can provide theoretical basis and scientific guidance for the key index design of Space‐Based Surveillance and detection system and the optimization of target detection and recognition algorithm.
Polysiloxane‐based Electrolytes: Influence of Salt Type and Polymer Chain Length on the Physical and Electrochemical Properties
Authors: Celik‐Kucuk Asuman , Abe Takeshi 
Published: November 2022

AbstractAn oligo/poly(methyl(2‐(tris(2‐H methoxyethoxy)silyl)ethyl)siloxane)), 390EO, and 2550EO, were synthesized. Dilute electrolyte solutions of 390EO and 2550EO were prepared using LiTFSI, LiFSI, and LiPF6. The influence of the length of the siloxane polymer chain, salt type, and Si‐tripodand centers at the side chain on ionic conductivity, tLi+, and physical properties were examined. Both electrolyte systems showed high values of tLi+ (0.35 for 2550EO/LiTFSI and 0.64 for 390EO/LiTFSI). Alternatively 390EO/LiPF6 and 2550EO/LiPF6 displayed high tLi+ values of 0.61 and 0.44, respectively, while 390EO/LiFSI displayed the smallest tLi+ (0.25). To clarify the role played by the Li+ environment in Li+ transport, the solvation states of electrolytes were examined. It was observed that anion solvation can be achieved using siloxane‐based solvent in all systems. Walden plot analysis demonstrates that ionic diffusion was not controlled by either macroviscosity/microviscosity in the siloxane‐based polymer electrolytes. Ions instead move along a relatively smooth ion‐pathway without complete full segmental reorientation in 2550EO as a result of decoupling and high ion solvation behavior. Conversely, in 390EO, ions might move to available sites by a jumping after decoupling with low ion solvation behavior. Consequently, a high t Li+ was achieved, and the oxidative stability of the salt was ensured.
Continuous Flow Photooxidative Degradation of Azo Dyes with Biomass‐Derived Carbon Dots
Authors: Campalani Carlotta , Petit Guillaume , Monbaliu Jean‐Christophe M. , Selva Maurizio , Perosa Alvise 
Published: November 2022

AbstractThe presence of persistent organic pollutants in industrial wastewaters is becoming a problem of major concern. In the present study we explored the degradation of azo dyes, well‐known common hazardous contaminants, by a green and efficient procedure using continuous flow photooxidative degradation. In particular, carbon dots synthesized from fishery waste (bass‐CDs) were used as a cheap and readily available photocatalyst in combination with oxygen and UV light. Methyl orange, acid red 18, amaranth, sunset yellow and chromotrope were chosen as model substrates and their degradation was studied both in batch and in continuous flow conditions. All the azo dyes were fully degraded with both techniques highlighting the suitability of bass‐CDs for the decontamination of wastewater. The main advantages are of using a “disposable” photocatalyst, in aqueous solvent and in continuous flow. In particular, continuous flow operation allowed faster decompositions: circa 2 min versus 1–3 hours needed in batch.
An Improved Scalable Synthesis of the Potent Antiviral (S)‐HPMPA
Authors: Kumar Racherla Kishore , Sanghvi Yogesh S. , Reddy Paidi Yella , Banerjee Shyamapada 
Published: November 2022

AbstractWe present an improved synthesis of (S)‐HPMPA (1) from an easily accessible and commercially available compound, (S)‐3‐(benzyloxy)propane‐1,2‐diol (10). Tritylation of primary alcohol 10 was highly selective, and pure product was isolated in good yield. Alkylation of (R)‐1‐(benzyloxy)‐3‐(trityloxy)propan‐2‐ol (11) with diethyl p‐toluenesulfonyloxymethyl phosphonate (6) using sodium hydride in tetrahydrofuran followed by detritylation afforded the desired chiral synthon 12. Tosylation of the primary alcohol and subsequent reaction with sodium adeninate afforded protected S‐HPMPA (14). Global deprotection using concentrated hydrochloric acid in a sealed tube afforded S‐HPMA (1), and the deprotected 1 was crystallized from water and acetone to obtain a 99% pure product. © 2022 Wiley Periodicals LLC.Basic Protocol 1: Preparation of (R)‐1‐(benzyloxy)‐3‐(trityloxy)propan‐2‐ol (11)Basic Protocol 2: Preparation of diethyl (S)‐(((1‐(benzyloxy)‐3‐hydroxypropan‐2‐yl)oxy)methyl)phosphonate (12)Basic Protocol 3: Preparation of (R)‐3‐(benzyloxy)‐2‐((diethoxyphosphoryl)methoxy)propyl‐4‐methylbenzenesulfonate (13)Basic Protocol 4: Preparation of diethyl (S)‐(((1‐(6‐amino‐9H‐purin‐9‐yl)‐3‐(benzyloxy)propan‐2‐yl)oxy)methyl)phosphonate (14)Support Protocol 1: Preparation of sodium adeninateBasic Protocol 5: Preparation of (S)‐(((1‐(6‐amino‐9H‐purin‐9‐yl)‐3‐hydroxypropan‐2‐yl)oxy)methyl)phosphonic acid (1)
Prognostic role of inflammatory diets in colorectal cancer overall and in strata of tumor‐infiltrating lymphocyte levels
Authors: Ugai Tomotaka , Liu Li , Tabung Fred K. , Hamada Tsuyoshi , Langworthy Benjamin W. , Akimoto Naohiko , Haruki Koichiro , Takashima Yasutoshi , Okadome Kazuo , Kawamura Hidetaka , Zhao Melissa , Kahaki Seyed Mostafa Mousavi , Glickman Jonathan N. , Lennerz Jochen K. , Zhang Xuehong , Chan Andrew T. , Fuchs Charles S. , Song Mingyang , Wang Molin , Yu Kun‐Hsing , Giannakis Marios , Nowak Jonathan A. , Meyerhardt Jeffrey A. , Wu Kana , Ogino Shuji , Giovannucci Edward L. 
Published: November 2022

AbstractBackgroundCertain dietary patterns can elicit systemic and intestinal inflammatory responses, which may influence adaptive anti‐tumor immune responses and tumor behavior. We hypothesized that pro‐inflammatory diets might be associated with higher colorectal cancer mortality and that the association might be stronger for tumors with lower immune responses.MethodsWe calculated an empirical dietary inflammatory pattern (EDIP) score in 2829 patients among 3988 incident rectal and colon carcinoma cases in the Nurses’ Health Study and Health Professionals Follow‐up Study. Using Cox proportional hazards regression analyses, we examined the prognostic association of EDIP scores and whether it might be modified by histopathologic immune reaction (in 1192 patients with available data).ResultsHigher EDIP scores after colorectal cancer diagnosis were associated with worse survival, with multivariable‐adjusted hazard ratios (HRs) for the highest versus lowest tertile of 1.41 (95% confidence interval [CI]: 1.13–1.77; Ptrend = 0.003) for 5‐year colorectal cancer‐specific mortality and 1.44 (95% CI, 1.19‐1.74; Ptrend = 0.0004) for 5‐year all‐cause mortality. The association of post‐diagnosis EDIP scores with 5‐year colorectal cancer‐specific mortality differed by degrees of tumor‐infiltrating lymphocytes (TIL; Pinteraction = .002) but not by three other lymphocytic reaction patterns. The multivariable‐adjusted, 5‐year colorectal cancer‐specific mortality HRs for the highest versus lowest EDIP tertile were 1.59 (95% CI: 1.01–2.53) in TIL‐absent/low cases and 0.48 (95% CI: 0.16–1.48) in TIL‐intermediate/high cases.ConclusionsPro‐inflammatory diets after colorectal cancer diagnosis were associated with increased mortality, particularly in patients with absent or low TIL.
NKG2D engagement on human NK cells leads to DNAM‐1 hypo‐responsiveness through different converging mechanisms
Authors: Milito Nadia D. , Zingoni Alessandra , Stabile Helena , Soriani Alessandra , Capuano Cristina , Cippitelli Marco , Gismondi Angela , Santoni Angela , Paolini Rossella , Molfetta Rosa 
Published: November 2022

AbstractNatural killer (NK) cell activation is regulated by activating and inhibitory receptors that facilitate diseased cell recognition. Among activating receptors, NKG2D and DNAM‐1 play a pivotal role in anticancer immune responses since they bind ligands upregulated on transformed cells. During tumor progression, however, these receptors are frequently downmodulated and rendered functionally inactive. Of note, NKG2D internalization has been associated with the acquisition of a dysfunctional phenotype characterized by the cross‐tolerization of unrelated activating receptors. However, our knowledge of the consequences of NKG2D engagement is still incomplete. Here, by cytotoxicity assays combined with confocal microscopy, we demonstrate that NKG2D engagement on human NK cells impairs DNAM‐1‐mediated killing through two different converging mechanisms: by the upregulation of the checkpoint inhibitory receptor TIGIT, that in turn suppresses DNAM‐1‐mediated cytotoxic function, and by direct inhibition of DNAM‐1‐promoted signaling. Our results highlight a novel interplay between NKG2D and DNAM‐1/TIGIT receptors that may facilitate neoplastic cell evasion from NK cell‐mediated clearance.
Ligand‐Free Copper‐Catalyzed 1,6‐Conjugate Reaction of para‐Quinone Methides with gem‐Diborylalkanes
Authors: He Jing , Meng Deyuan , Lee Dong Yeon , Yun Jaesook 
Published: November 2022

AbstractWe report a ligand‐free copper‐catalyzed 1,6‐addition of α‐borylalkyl copper species, catalytically generated from gem‐diborylalkanes to para‐quinone methides. The reaction proceeds with good yield for a variety of para‐quinone methides and substituted gem‐diborylalkanes with a catalytic amount of CuI as catalyst. This catalytic system provides a cost‐effective process with good functional group tolerance under mild conditions.
Molecular and clinical markers of pain relief in complex regional pain syndrome: An observational study
Authors: Reinhold Ann Kristin , Kindl Gudrun‐Karin , Dietz Christopher , Scheu Nathalie , Mehling Katharina , Brack Alexander , Birklein Frank , Rittner Heike L. 
Published: November 2022

AbstractBackgroundComplex regional pain syndrome (CRPS) is marked by disproportionate pain after trauma. Whilst the long‐term outcome is crucial to patients, predictors or biomarkers of the course of pain or CRPS symptoms are still lacking. In particular, microRNAs, such as miR‐223, decreased in CRPS, have been described only in cross‐sectional studies.MethodsIn this study, we characterised CRPS patients over a course of 2.5 years of standard treatment. The patient underwent clinical examination including pain measurement, symptom questionnaires, quantitative sensory testing (QST) and blood sampling. Exosomal microRNA levels were measured via qPCR. After follow‐up, patients were stratified into ‘pain relief’ (mean pain reduced by ≥2 numeric rating scale) or ‘persistence’ (mean pain unchanged or worsened). The primary outcome was miR‐223 and miR‐939 expression, secondary outcomes were differences in clinical parameters between groups and time points.ResultsThirty‐nine patients were included, 33 of whom qualified for stratification. Overall, patients reported lower pain and improved clinical characteristics after 2.5 years, but no significant changes in QST or miR‐223 and miR‐939 expression levels. 16 patients met the criteria for pain relief. This was associated with stable exosomal miR‐223 expression, whilst levels further decreased in pain persistence. Clinically, pain relief was marked by shorter disease duration and correlated positively with high initial pain.ConclusionWe identified progressively reduced miR‐223 as a putative biomarker of chronic CRPS pain. Clinically, this study underlines the importance of early diagnosis and treatment showing that high initial pain does not predict an unfavourable outcome. Finally, pain relief and recovery of sensory disturbances seem independent processes.