bluuebunny/crossref_metadata_2025 huggingface dataset:
A Facile and Universal Method for Preparing Polyethylene Glycol‐Metal Hybrid Nanoparticles and Their Application in Tumor Theranostics
Authors: Chen Zefeng , Zeng Yaoxun , Chen Niping , Zhang Mingxia , Wang Yakun , Pan Zhenxing , Yuan Jiongpeng , Ye Zhaoyi , Li Xiaojing , Bian Wangqing , Li Haihong , Zhang Kun , He Yan , Liu Xujie
Published: February 2022

Metal ions are of widespread interest owing to their brilliant biomedical functions. However, a simple and universal nanoplatform designed for assembling a range of functional metal ions has not been explored. In this study, a concept of polyethylene glycol (PEG)‐mediated transport of metal ions is proposed. 31 types of PEG‐metal hybrid nanoparticles (P‐MNPs) are successfully synthesized through anionic ring‐opening polymerization (ROP), “thiol‐ene” click reaction, and subsequent incorporation with multiple metal ions. Compared with other methods, the facile method proposed in this study can provide a feasible approach to design MNPs (mostly <200 nm) containing different metal ions and thus to explore their potential for cancer theranostics. As a proof‐of‐concept demonstration, four types P‐MNPs, i.e., PEG‐metal hybrid copper nanoparticles (PEG‐Cu NPs), ruthenium nanoparticles (PEG‐Ru NPs), and manganese nanoparticles (PEG‐Mn NPs) or gadolinium nanoparticles (PEG‐Gd NPs), are proven to be tailored for chemodynamic therapy, photothermal therapy, and magnetic resonance imaging of tumors, respectively. Overall, this study provides several metal ions‐based nanomaterials with versatile functions for broad applications in cancer theranostics. Furthermore, it offers a promising tool that can be utilized for processing other metal‐based nanoparticles and exploring their potential in the biomedical field.
Peri‐Acenoacene for Solution Processed Distributed Feedback Laser: The Effect of 1,2‐Oxaborine Doping
Authors: Gu Yanwei , Muñoz‐Mármol Rafael , Fan Wei , Han Yi , Wu Shaofei , Li Zhengtao , Bonal Víctor , Villalvilla José M. , Quintana José A. , Boj Pedro G. , Díaz‐García María A. , Wu Jishan
Published: February 2022

Zigzag edged nanographenes such as peri‐acenoacenes are promising materials for organic lasers, but the effects of heteroatom doping on the electronic properties and gain medium performance remain unclear. Herein, the facile synthesis of a new 1,2‐oxaborine (BO) doped peri‐tetracenotetracene derivative, the bis(1,2‐oxaborine)peri‐tetracenotetracene (BOTT‐Mes), is reported. X‐ray crystallographic analysis confirms the BO‐doped planar structure and the nonexistence of intermolecular π–π stacking in solid state. Compared with the all‐carbon peri‐tetracenotetracene derivative (TT‐Ar), the BO‐doped BOTT‐Mes exhibits more disrupted π‐conjugation at the BO sites, a lower‐lying highest occupied molecular orbital, and a larger energy gap. Due to its rigid skeleton and nonaggregative feature, it displays well‐resolved absorption and emission spectra with a small Stokes shift (8 nm) and high photoluminescence quantum yield (80%) when it is dispersed in a polystyrene (PS) thin film. Notably, 1,2‐oxaborine doping improves the film amplified spontaneous emission (ASE) performance, with a lower ASE threshold (Eth‐ASE = 66 µJ cm–2) as compared to the TT‐Ar doped PS film (Eth‐ASE = 100 µJ cm–2). Furthermore, a low threshold (22 µJ cm–2) solution‐processed distributed feedback laser is fabricated, indicating the feasibility of using BOTT‐Mes as gain medium for practical laser applications.
In Situ Construction a Stable Protective Layer in Polymer Electrolyte for Ultralong Lifespan Solid‐State Lithium Metal Batteries
Authors: Zhang Dechao , Liu Zhengbo , Wu Yiwen , Ji Shaomin , Yuan Zhanxiang , Liu Jun , Zhu Min
Published: February 2022

Solid‐state lithium metal batteries (SLMBs) are attracting enormous attention due to their enhanced safety and high theoretical energy density. However, the alkali lithium with high reducibility can react with the solid‐state electrolytes resulting in the inferior cycle lifespan. Herein, inspired by the idea of interface design, the 1‐butyl‐1‐methylpyrrolidinium bis(trifluoromethanesulfonyl) imide as an initiator to generate an artificial protective layer in polymer electrolyte is selected. Time‐of‐flight secondary ion mass spectrometry and X‐ray photoelectron spectroscopy reveal the stable solid electrolyte interface (SEI) is in situ formed between the electrolyte/Li interface. Scanning electron microscopy (SEM) images demonstrate that the constructed SEI can promote homogeneous Li deposition. As a result, the Li/Li symmetrical cells enable stable cycle ultralong‐term for over 4500 h. Moreover, the as‐prepared LiFePO4/Li SLMBs exhibit an impressive ultra‐long cycle lifespan over 1300 cycles at 1 C, as well as 1600 cycles at 0.5 C with a capacity retention ratio over 80%. This work offers an effective strategy for the construction of the stable electrolyte/Li interface, paving the way for the rapid development of long lifespan SLMBs.
Economics of reducing Palmer amaranth seed production in dicamba/glufosinate/glyphosate‐resistant soybean
Authors: Striegel Adam , Jhala Amit J.
Published: February 2022

Increased prevalence of glyphosate‐resistant (GR) weeds within agronomic cropping systems has led to the readoption of pre‐emergence (PRE) herbicides and use of multiple herbicide‐resistant soybean [Glycine max (L.) Merr.] cultivars. Herbicide programs were evaluated in the recently commercialized dicamba/glyphosate/glufosinate‐resistant (DGGR) soybean for weed control, reduction of Palmer amaranth (Amaranthus palmeri S. Watson) seed production, crop safety, and economic performance. At 35 days after pre‐emergence herbicides, acetochlor plus dicamba plus metribuzin, acetochlor/fomesafen plus dicamba, dicamba plus flumioxazin, and imazethapyr/pyroxasulfone/saflufenacil provided 80–99% control of velvetleaf (Abutilon theophrasti Medik.), Palmer amaranth, common lambsquarters (Chenopodium album L.), and Poaceae species. Evaluation at 14 days after early postemergence herbicides indicated PRE followed by (fb) POST applications of mixtures of acetochlor, dicamba, glufosinate, and glyphosate provided 80–99% weed control compared with 67–93% control in POST‐only programs. Most herbicide programs provided 83–99% control of grass and broadleaf weeds, with 85–91% weed biomass reductions at 28 days after late‐POST. The PRE fb POST programs reduced Palmer amaranth seed production by 94–99%, whereas POST‐only programs provided 75–83% reduction. In 2020, most programs provided gross profit margins ≥US$1,000 ha−1, with glufosinate fb glufosinate and imazethapyr/pyroxasulfone/saflufenacil fb acetochlor plus glufosinate providing $1,481 and $1,466 ha−1, respectively. Benefit/cost ratios ranged between 0.3 and 3.9 in 2019 due to hail but increased to 2.9–10.9 in 2020. Results of this study support use of PRE herbicides with multiple sites of action in DGGR soybean and indicate that glufosinate can provide POST control of GR Palmer amaranth.
Surrogate‐based optimization of a periodic rescheduling algorithm
Authors: Ikonen Teemu J. , Heljanko Keijo , Harjunkoski Iiro
Published: February 2022

Periodic rescheduling is an iterative method for real‐time decision‐making on industrial process operations. The design of such methods involves high‐level when‐to‐schedule and how‐to‐schedule decisions, the optimal choices of which depend on the operating environment. The evaluation of the choices typically requires computationally costly simulation of the process, which—if not sufficiently efficient—may result in a failure to deploy the system in practice. We propose the continuous control parameter choices, such as the re‐optimization frequency and horizon length, to be determined using surrogate‐based optimization. We demonstrate the method on real‐time rebalancing of a bike sharing system. Our results on three test cases indicate that the method is useful in reducing the computational cost of optimizing an online algorithm in comparison to the full factorial sampling.
Remarkable NH3 absorption in metal‐based deep eutectic solvents by multiple coordination and hydrogen‐bond interaction
Authors: Cheng Ning‐Ning , Li Zi‐Liang , Lan Hong‐Chao , Xu Wen‐Long , Huang Kuan
Published: February 2022

The elimination and recycling of NH3 from the vented circulating stream of NH3 synthesis process is of great significance to the protection of air environment and saving of NH3 product. Deep eutectic solvents (DESs) with as many weak acidic sites as possible are anticipated to exhibit high efficiency for NH3 absorption at low pressures. Herein, we designed and prepared a series of metal‐based DESs by mixing EaCl, metal chloride (SnCl2, ZnCl2, FeCl3, or CoCl2), and Gly. The physiochemical properties, NH3 absorption performance, and mechanism of prepared metal‐based DESs were investigated systematically. It is found that considerably high solubilities of NH3 in DESs can be achieved by utilizing the multiple coordination and hydrogen‐bond interaction with NH3 provided by metal ions and Gly respectively. The values of NH3 solubilities (17.55 mol/kg at 298.2 K and 103.0 kPa, and 10.24 mol/kg at 298.2 K and 6.8 kPa) are the highest reported to date.
Landscape genetics of the tropical willowSalix humboldtiana: influence of climate, salinity, and orography in an altitudinal gradient
Authors: Hernández‐Leal Mariana S. , Suárez‐Atilano Marco , Nicasio‐Arzeta Sergio , Piñero Daniel , González‐Rodríguez Antonio
Published: February 2022

Premise

Gene flow in riparian ecosystems is influenced by landscape features such as orography, climate, and salinity. The downstream increase in genetic diversity (DIGD) hypothesis states that the unidirectionality of the watercourse causes an accumulation of genetic diversity toward downstream populations, while upstream populations are more structured and less diverse, especially in water‐dispersed organisms.

Methods

We used chloroplast and nuclear microsatellites to characterize genetic diversity, structure, and gene flow patterns among populations ofSalix humboldtianaacross an elevation and salinity gradient on three rivers (Actopan, Antigua, and Blanco) in Mexico. We used optimization of resistance surface methods to determine whether genetic distances between populations are correlated with landscape features.

Results

PositiveFISvalues evidenced biparental inbreeding in some populations, particularly at higher elevations where lower niche availability constrains colonization and persistence. Four genetic groups were distinguished, corresponding to populations on the Actopan and Antigua rivers and upstream and downstream on the Blanco, but with high admixture between populations on the Actopan and Antigua rivers. Higher gene flow rates were found among proximate populations on the same river than among different rivers. Genetic diversity increased toward the river mouths, in support of the DIGD hypothesis, probably due to greater niche availability and larger population size. Differences among rivers in precipitation patterns and salinity, as well as geographic distance, were significant predictors of gene flow.

Conclusions

Our results depict that the DIGD and gene flow patterns inS. humboldtianaresult from the complex interaction among physiography, climate, river salinity, and life‐history traits of the species.
Effects of snow on reproduction of perennial Thalictrum dioicum: Plants survive but seedlings fail to recruit with reduced snow cover
Authors: Ósvaldsson Anna , Chesler Maddelana K. , Burns Jean H.
Published: February 2022

Premise

Future reductions in snow cover are expected in temperate climates, likely leading to more soil‐freezing events and damage to plant tissues. However, whether and how plants can compensate for this damage may depend on the timing of damage and on plant allocations to seed size and number. We need more information about how seed production, germination, and seedling recruitment might respond to changes in snow cover.

Methods

We manipulated snow cover over three seasons in a common garden experiment with four treatments: (1) “control,” where snowpack was left unmanipulated throughout the winter season; (2) “late addition,” where snowpack was experimentally increased at the end of the winter season in order to delay the onset of spring; (3) “late removal,” where snowpack was experimentally reduced at the end of the winter season in order to advance the onset of spring; and (4) “freeze,” a consistent removal treatment, where snowpack was experimentally reduced following every substantial snowfall in order to induce freeze‐thaw events in the soil. In all treatments, we measured survival, growth, reproduction, and recruitment of a native perennial herb, Thalictrum dioicum.

Results

Reduced snow cover minimally influenced adult survival. Instead, individuals that experienced reduced snow cover throughout the winter produced more massive seeds, whereas individuals that experienced a single snow removal at the end of the season produced less massive seeds. Seedling recruitment was lower in the removal treatments than in the control, as a result of failure to germinate in the freeze treatment and seedling mortality in the late removal treatment.

Conclusions

Both reduced snow cover throughout the winter and a single late snow removal in the spring reduced seedling recruitment, but for different reasons, suggesting that a holistic approach to the life cycle is needed to understand responses to shifting climates.
Alzheimer's disease research progress in the Mediterranean region: The Alzheimer's Association International Conference Satellite Symposium
Authors: Sexton Claire , Solis Michele , Aharon‐Peretz Judith , Alexopoulos Panagiotis , Apostolova Liana G. , Bayen Eléonore , Birkenhager Betty , Cappa Stefano , Constantinidou Fofi , Fortea Juan , Gerritsen Debby L. , Hassanin Hany I. , Ibanez Agustin , Ioannidis Panagiotis , Karageorgiou Elissaios , Korczyn Amos , Leroi Iracema , Lichtwarck Bjorn , Logroscino Giancarlo , Lynch Chris , Mecocci Patrizia , Molinuevo Jose Luis , Papatriantafyllou John , Papegeorgiou Sokratis , Politis Antonis , Raman Rema , Ritchie Karen , Sanchez‐Juan Pascual , Sano Mary , Scarmeas Nikolas , Spiru Luiza , Stathi Afroditi , Tsolaki Magda , Yener Görsev , Zaganas Ioannis , Zygouris Stelios , Carrillo Maria
Published: February 2022

As research and services in the Mediterranean region continue to increase, so do opportunities for global collaboration. To support such collaborations, the Alzheimer's Association was due to hold its seventh Alzheimer's Association International Conference Satellite Symposium in Athens, Greece in 2021. Due to the COVID‐19 pandemic, the meeting was held virtually, which enabled attendees from around the world to hear about research efforts in Greece and the surrounding Mediterranean countries. Research updates spanned understanding the biology of, treatments for, and care of people with Alzheimer's disease (AD_ and other dementias. Researchers in the Mediterranean region have outlined the local epidemiology of AD and dementia, and have identified regional populations that may expedite genetic studies. Development of biomarkers is expected to aid early and accurate diagnosis. Numerous efforts have been made to develop culturally specific interventions to both reduce risk of dementia, and to improve quality of life for people living with dementia.
Plasma amyloid beta predicts conversion to dementia in subjects with mild cognitive impairment: The BALTAZAR study
Authors: Hanon Olivier , Vidal Jean‐Sébastien , Lehmann Sylvain , Bombois Stéphanie , Allinquant Bernadette , Baret‐Rose Christiane , Tréluyer Jean‐Marc , Abdoul Hendy , Gelé Patrick , Delmaire Christine , Blanc Fredéric , Mangin Jean‐François , Buée Luc , Touchon Jacques , Hugon Jacques , Vellas Bruno , Galbrun Evelyne , Benetos Athanase , Berrut Gilles , Paillaud Elena , Wallon David , Castelnovo Giovanni , Volpe‐Gillot Lisette , Paccalin Marc , Robert Philippe , Godefroy Olivier , Camus Vincent , Belmin Joël , Vandel Pierre , Novella Jean‐Luc , Duron Emmanuelle , Rigaud Anne‐Sophie , Schraen‐Maschke Susanna , Gabelle Audrey ,   the BALTAZAR study group
Published: February 2022

Introduction

Blood‐based biomarkers are the next challenge for Alzheimer's disease (AD) diagnosis and prognosis.

Methods

Mild cognitive impairment (MCI) participants (N = 485) of the BALTAZAR study, a large‐scale longitudinal multicenter cohort, were followed‐up for 3 years. A total of 165 of them converted to dementia (95% AD). Associations of conversion and plasma amyloid beta (Aβ)1‐42, Aβ1‐40, Aβ1‐42/Aβ1‐40 ratio were analyzed with logistic and Cox models.

Results

Converters to dementia had lower level of plasma Aβ1‐42 (37.1 pg/mL [12.5] vs. 39.2 [11.1] , P value = .03) and lower Aβ1‐42/Aβ1‐40 ratio than non‐converters (0.148 [0.125] vs. 0.154 [0.076], P value = .02). MCI participants in the highest quartile of Aβ1‐42/Aβ1‐40 ratio (>0.169) had a significant lower risk of conversion (hazard ratio adjusted for age, sex, education, apolipoprotein E ε4, hippocampus atrophy = 0.52 (95% confidence interval [0.31–0.86], P value = .01).

Discussion

In this large cohort of MCI subjects we identified a threshold for plasma Aβ1‐42/Aβ1‐40 ratio that may detect patients with a low risk of conversion to dementia within 3 years.
Characterization of sodium carboxymethyl cellulose/calcium alginate scaffold loaded with curcumin in skin tissue engineering
Authors: Rezaei Mohadeseh , Hassanzadeh Nemati Nahid , Mehrabani Davood , Komeili Ali
Published: February 2022

Applying biological macromolecule like curcumin (CUC) has gained considerable attention for the anti‐inflammatory, antioxidant, antimicrobial and antitumor properties. Therefore, this study was carried out to characterize carboxymethylcellulose/calcium alginate (CMC/CA) scaffold loaded with CUC in skin tissue engineering. To observe the structural, mechanical, degradability, biological and antibacterial effect of CUC, it was loaded in a cellulose‐based electrospinning scaffold of sodium CMC (SCMC) with CA. The addition of CUC increased the fiber diameter to 504 ± 83, and 522 ± 25 nm in 3% and 5% of CUC concentrations, respectively. The elasticity of the scaffold was enhanced, while the scaffold strength was decreased slightly. The inhibitory zone in the scaffold containing CUC denoted to its antibacterial properties. In addition, the cell viability, proliferation and attachment to the electrospun scaffolds were increased. Utilization of CUC‐loaded materials can play an important role in anti‐bacterial performance of the scaffold. Although mechanical properties of SCMC may slightly decreased during the loading process, but the morphological, chemical, and biological properties were improved. It seems that applying electrospinning technique and CUC incorporation in fabricated scaffolds can be a promising choice in skin tissue engineering when antibacterial properties are also targeted in conjunction with the tensile strength.
Transcriptome of miRNA during inhibition of Bombyx mori nuclear polyhedrosis virus by geldanamycin in BmN cells
Authors: Zhao Zhi‐meng , Yin Hao‐tong , Shen Man‐man , Zhang Shao‐lun , Chen Zi‐kang , Li Tao , Zhang Zhen‐dong , Zhao Wei‐guo , Guo Xi‐jie , Wu Ping
Published: February 2022

Bombyx mori nuclear polyhedrosis virus (BmNPV) is one of several viruses that cause great harm to the sericulture industry, and its pathogenic mechanism is still being explored. Geldanamycin (GA), a kind of HSP90 inhibitor, has been verified to suppress BmNPV proliferation. However, the molecular mechanism by which GA inhibits BmNPV is unclear. MicroRNAs (miRNAs) have been shown to play a key role in regulating virus proliferation and host‐pathogen interactions. In this study, BmN cells infected with BmNPV were treated by GA and DMSO for 72 h, respectively, then transcriptome analysis of miRNA was performed from the GA group and the control group. As a result, a total of 29 miRNAs were differentially expressed (DE), with 13 upregulated and 16 downregulated. Using bioinformatics analysis, it was found that the target genes of DEmiRNAs were involved in ubiquitin‐mediated proteolysis, phagosome, proteasome, endocytosis pathways, and so on. Six DEmiRNAs were verified by quantitative reverse‐transcription polymerase chain reaction. DElong noncoding RNA (DElncRNA)–DEmiRNA–messenger RNA (mRNA) regulatory networks involved in apoptosis and immune pathways were constructed in GA‐treated BmN cells, which included 12 DEmiRNA, 132 DElncRNA, and 69 mRNAs. This regulatory network enriched the functional role of miRNA in the BmNPV‐silkworm interactions and improved our understanding of the molecular mechanism of HSP90 inhibitors on BmNPV proliferation.
Recent Advances in Inorganic Electrochromic Materials from Synthesis to Applications: Critical Review on Functional Chemistry and Structure Engineering
Authors: Li Borui , Dang Jie , Zhuang Qianyu , Lv Zepeng
Published: February 2022

For the assembly of electrochromic devices (ECDs) with generally multilayer structures, supportive components usually are needed to be incorporated with EC materials. Herein, we reviewed several impressive methods to design and fabricate ECDs with high performance and versatility based on recent frontier research. The first part of the review is centered on the desirability and strengthening mechanism of nanostructured inorganic EC materials. The second part illustrates the recent advances in transparent conductors. We then summarize the demands and means to modify the formation of electrolytes for practicable ECDs. Moreover, efforts to increase the compatibility with the EC layer and ion capacity are delineated. At the end, the application prospects of inorganic ECDs are further explored, which offers a guideline for the industrialization process of ECDs.
SmI2‐mediated C‐alkylation of Ketones with Alcohols under Microwave Conditions: A Novel Route to Alkylated Ketones
Authors: Pawar Gaurav , Mahammad Ghouse Shaik , Kar Swayamsiddha , Manohar Chelli Sai , Reddy Dannarm Srinivas , Gour Jitendra , Sonti Rajesh , Nanduri Srinivas
Published: February 2022

A novel protocol is developed towards the preparation of alkylated ketones from alcohols in presence of catalytic amount of SmI2 and base with the elimination of water as a single by‐product under microwave irradiation conditions. Furthermore, applicability of this methodology to the synthesis of Donepezil and late‐stage functionalization in Pregnenolone is also reported. Successful application of this methodology in Friedländer quinolone synthesis using 2‐aminobenzyl alcohol and various acetophenones expand the synthetic utility of this protocol.
Trapping a [W10O32]6− Decatungstate Anion in an Ag44 Nanowheel
Authors: Yu Jia‐Qun , Xue Chun‐Hui , Zhou Kun , Fang Yuan , Ji Jiu‐Yu , Chen Bao‐Kuan , Bi Yan‐Feng
Published: February 2022

Compound [Ag44(W10O32)(StBu)24(CF3COO)8](CF3COO)6 ⋅ 6H2O (1) was synthesized through a one‐pot method. This is the first case of isolating a new silver thiolate cluster containing a [W10O32]6− template which transforms from WO42− polyoxoanion through a self‐assembly process. The anionic nature of the reduced [W10O32]6− template and the effective silver‐oxygen interaction contribute to the formation of the Ag44 nanowheel in 1. The luminescence, photocatalytic activity and electrochemistry properties of 1 were studied.
Systematic analysis of chemical profiles of Sophorae tonkinensis Radix et Rhizoma in vitro and in vivo using UPLC‐Q‐TOF‐MSE
Authors: Yuan Wen‐lin , Huang Zheng‐rui , Xiao Si‐jia , Zhang Yu‐hao , Chen Wei , Ye Ji , Xu Xi‐ke , Zu Xian‐peng , Shen Yun‐heng
Published: February 2022

Sophorae tonkinensis Radix et Rhizoma (S. tonkinensis) has been recorded as a ‘poisonous’ Chinese herbal medicine in Chinese Pharmacopoeia 2020. The clinical reaction reports of S. tonkinensis indicated its neurotoxicity; however, there still exists dispute about its toxic substances. At present, no report is available on the blood and brain prototype research of S. tonkinensis. Most studies focused on alkaloids and less on other compounds. Moreover, the constituents absorbed into the blood and brain have been rarely investigated so far. This study established a rapid and efficient qualitative analysis method using UPLC‐Q‐TOF‐MSE to characterize the ingredients of S. tonkinensis and those entering into the rat's body after oral administration. A total of 91 compounds were identified in S. tonkinensis, of which 28 were confirmed by the standards. In addition, 30 and 19 prototypes were also first identified in the rat's blood and brain, respectively. It was found that most flavonoids, except alkaloids, were detected in the rat's body and distributed in the cerebrospinal fluid, suggesting that flavonoids may be one of the important toxic or effective substances of S. tonkinensis. This finding provides new clues and data for clarifying the toxicity or efficacy of this medicinal plant.
Prediction of lung metastases in thyroid cancer using machine learning based on SEER database
Authors: Liu Wenfei , Wang Shoufei , Ye Ziheng , Xu Peipei , Xia Xiaotian , Guo Minggao
Published: February 2022

Purpose

Lung metastasis (LM) is one of the most frequent distant metastases of thyroid cancer (TC). This study aimed to develop a machine learning algorithm model to predict lung metastasis of thyroid cancer for providing relative information in clinical decision‐making.

Methods

Data comprising of demographic and clinicopathological characteristics of patients with thyroid cancer were extracted from the National Institutes of Health (NIH)’s Surveillance, Epidemiology, and End Results (SEER) database between 2010 and 2015, which is employed to develop six machine learning algorithm models support vector machine (SVM), logistic regression (LR), eXtreme gradient boosting (XGBoost), decision tree (DT), random forest (RF), and k‐nearest neighbor (KNN). Compared and evaluated models by the following indicators: accuracy, precision, recall rate, F1‐score, the area under the ROC curve (AUC) value and Brier score, and interpreted the association between clinicopathological characteristics and target variables based on the best model.

Results

Nine thousand nine hundred and fifty patients were selected, which including 212 patients (2.1%) with lung metastasis, and 9738 patients without lung metastasis (97.9%). Multivariate logistic regression showed that age, T stage, N stage, and histological type were independent factors in TC with LM. Evaluation indicators of the best model‐ RF were as following: accuracy (0.99), recall rate (0.88), precision (0.61), F1‐score (0.72), AUC value (0.99), and the Brier score (0.016).

Conclusion

RF learning model performed better and can be applied to forecast lung metastasis of thyroid cancer, and offer valuable and significant reference for clinicians' decision‐making in advance.
Single Atoms Anchored in Hexagonal Boron Nitride for Propane Dehydrogenation from First Principles
Authors: Xiong Chuanye , Dai Sheng , Wu Zili , Jiang De‐en
Published: February 2022

Single‐atom catalysts embedded in N‐doped graphene have attracted great interest recently, but the hexagonal boron nitride (h‐BN) is much less explored as a support. Using first principles density function theory and molecular dynamics, here we investigate the stability of Pt, Au, and Ru single atoms anchored at B and N vacancies on h‐BN. We find that Pt and Ru single atoms are much more stable than Au on h‐BN. We further examine propane dehydrogenation on these single‐atom catalysts and find that Pt1 at the B vacancy in h‐BN and Ru1 at the N vacancy in h‐BN show excellent activity for propane dehydrogenation, as evidenced by low energy barriers for both dehydrogenation steps. Our work suggests that Pt and Ru single atoms anchored at vacancy sites in h‐BN could be promising for propane dehydrogenation.
The Crucial Role of Bioenergy in a Climate‐Neutral Energy System in Germany
Authors: Lauer Markus , Dotzauer Martin , Millinger Markus , Oehmichen Katja , Jordan Matthias , Kalcher Jasmin , Majer Stefan , Thraen Daniela
Published: February 2022

Greenhous gas mitigation requires urgent action, especially in transforming the energy system. Bioenergy is expected to counterbalance the variable power from wind and solar energy, but also for the de‐fossilization of the heat and transport sectors. This study assesses the wide range of options and evaluates the most cost‐efficient allocation of biomass for 95 % greenhouse gas emission reduction in the German energy system till 2050. The final state in 2050 shows bioenergy in different sectors, including pellet and woodchip boilers, bio‐based methane, different combined heat and power concepts, as well as liquid fuels, such as synthetic kerosene. Lignocellulosic biomass makes up the major proportion of future biomass options; however, appropriate strategies are needed to mobilize it.
A Review of Biomass Resources and Thermochemical Conversion Technologies
Authors: Jha Shivangi , Okolie Jude A. , Nanda Sonil , Dalai Ajay K.
Published: February 2022

Waste biomass has the potential to produce renewable fuels and fine chemicals. Biofuels derived from agricultural, forestry, and energy crop systems are promising resources to address climate change and minimize greenhouse gas emissions. The recent advances in various thermochemical technologies for the conversion of waste biomass to value‐added biofuel products are discussed. A summarized outline of thermochemical technologies such as torrefaction, liquefaction, pyrolysis, and gasification is provided. An overview of different types and sources of biomass as well as their physicochemical properties is presented. The thermochemical conversion products and their environmental benefits are considered as well.
Modification of Biphenolic Anti‐Bacterial to Achieve Broad‐Spectrum Activity
Authors: Ochoa Cristian , Roenfanz Hanna F. , Kozlowski Marisa C.
Published: February 2022

The Gram‐positive bacteria, methicillin‐resistant Staphylococcus aureus (MRSA) and Gram‐negative bacteria, Acinetobacter baumannii, are pathogens responsible for millions of nosocomial infections worldwide. Due to the threat of bacteria evolving resistance to antibiotics, scientists are constantly looking for new classes of compounds to treat infectious diseases. The biphenolic analogs of honokiol that were most potent against oral bacteria had similar bioactivity against MRSA. However, all the compounds proved ineffective against A. baumannii. The inability to inhibit A. baumannii is due to the difficult‐to‐penetrate lipopolysaccharide‐coated outer membrane that makes it challenging for antibiotics to enter Gram‐negative bacteria. The C 2 scaffold was optimized from the inhibition of Gram‐positive bacteria to broad‐spectrum antibacterial compounds that inhibit the dangerous Gram‐negative pathogen A. baumannii.
“Is it cancer or not?” A qualitative exploration of survivor concerns surrounding the diagnosis and treatment of ductal carcinoma in situ
Authors: Rosenberg Shoshana M. , Gierisch Jennifer M. , Revette Anna C. , Lowenstein Carol L. , Frank Elizabeth S. , Collyar Deborah E. , Lynch Thomas , Thompson Alastair M. , Partridge Ann H. , Hwang E. Shelley
Published: February 2022

Background

Of the nearly 50,000 women in the United States who undergo treatment for ductal carcinoma in situ (DCIS) annually, many may not benefit from treatment. To better understand the impact of a DCIS diagnosis, patients self‐identified as having had DCIS were engaged regarding their experience.

Methods

In July 2014, a web‐based survey was administered through the Susan Love Army of Women breast cancer listserv. The survey included open‐ended questions designed to assess patients' perspectives about DCIS diagnosis and treatment. Deductive and inductive codes were applied to the responses; common themes were summarized.

Results

Among the 1832 women included in the analytic sample, the median age at diagnosis was 60 years. Four primary themes were identified: 1) uncertainty surrounding a DCIS diagnosis, 2) uncertainty about DCIS treatment, 3) concern about treatment side effects, and 4) concern about recurrence and/or developing invasive breast cancer. When diagnosed, participants were often uncertain about whether they had cancer or not and whether they should be considered a “survivor.” Uncertainty about treatment manifested as questioning the appropriateness of the amount of treatment received. Participants expressed concern about the “cancer spreading” or becoming invasive and that they were not necessarily “doing enough” to prevent recurrence.

Conclusions

In a large, national sample, participants with a history of DCIS reported confusion and concern about the diagnosis and treatment, which caused worry and significant uncertainty. Developing strategies to improve patient and provider communications regarding the nature of DCIS and acknowledging gaps in the current knowledge of management options should be a priority.
Detection accuracy of the Cobas HPV assay for high‐risk HPV in head and neck FNA biopsy specimens
Authors: Guo Ming , Khanna Abha , Tinnirello Agata A. , Hwang Jessica , Zhang Ping , Xu Li , Li Guojun , Dahlstrom Kristina R. , Sturgis Erich M. , Stewart John
Published: February 2022

BACKGROUND

This study evaluated the detection accuracy of the Cobas human papillomavirus (HPV) assay for high‐risk human papillomavirus (hrHPV) and HPV‐16 in head and neck fine‐needle aspiration (FNA) specimens with squamous cell carcinoma.

METHODS

Head and neck FNA biopsy specimens from 2012 to 2020 were retrospectively collected. Cobas HPV testing was performed on 90 FNA specimens with valid Cervista HPV testing results. Results of Cobas HPV and Cervista HPV assays were compared. A Linear Array or SPF10‐LiPA25 HPV genotyping assay resolved cases with discrepant results. The κ value and accuracy of Cobas HPV testing were calculated. The accuracy of the Cobas HPV assay was also determined in 42 FNA needle‐rinse specimens.

RESULTS

Cobas HPV was positive in 82% of the FNA specimens (74 of 90). The concordance between Cobas HPV and Cervista HPV test results was 88.9% (80 of 90) with substantial agreement (κ = 0.669; 95% CI, 0.481‐0.856). With HPV genotyping confirmation in cases with discrepant results between the 2 HPV assays, Cobas HPV showed 100% sensitivity and specificity for hrHPV. HPV‐16 was detected in 88% of HPV‐positive cases (65 of 74). HPV genotyping confirmed 1 false‐negative HPV‐16 result and 1 false‐positive HPV‐16 result. Overall, the accuracy of Cobas HPV for HPV‐16 was 97.8%. The accuracy of Cobas HPV in FNA needle‐rinse specimens was 100%.

CONCLUSIONS

The Cobas HPV assay is highly accurate for determining the HPV status in head and neck FNA specimens. FNA needle rinse is valid for Cobas HPV testing in patients with squamous cell carcinoma.;
Pharmacokinetics, Safety, and Tolerability of Single and Multiple Doses of Isavuconazonium Sulfate in Healthy Adult Japanese Subjects
Authors: Shirae Shinichiro , Ose Atsushi , Kumagai Yuji
Published: February 2022

Isavuconazonium sulfate is the water‐soluble prodrug of the novel, broad‐spectrum, triazole antifungal agent isavuconazole. This was a first‐in‐Japanese study assessing the pharmacokinetics, safety, and tolerability of isavuconazonium sulfate. The study was conducted in 2 parts: part 1 (single ascending dose; 100‐, 200‐, and 400‐mg equivalent of isavuconazole oral or intravenous administration); and part 2 (multiple doses for 16 days; 200‐mg equivalent of isavuconazole oral or intravenous administration; once‐daily administration with a loading regimen every 8 hours for the first 48 hours). A total of 60 and 16 subjects were randomized in part 1 and part 2, respectively. Observed clearance was lower in this study compared to what was previously reported in predominantly White populations and similar to clearance in non‐Japanese Asian populations. The range of the plasma isavuconazole concentration in this study was within the range of the pivotal phase 3 study, with no relationship between isavuconazole exposure and either efficacy or safety. There were no serious adverse events, and all reported treatment‐emergent adverse events were of mild intensity. This study confirmed that isavuconazonium sulfate was safe and well tolerated in healthy adult Japanese subjects.
A two‐vectordata‐predictionmodel forenergy‐efficient data‐aggregationin wireless sensor network
Authors: Jain Khushboo , Singh Akansha
Published: February 2022

Most ecological management applications use wireless sensor networks (WSNs) to collect data regularly, with great temporal redundancy. As a result, a significant amount of energy is used transmitting redundant data, making it tremendously problematic to attain a satisfactory network lifetime, which is a bottleneck in enduring such environmental monitoring applications. A two‐vector data prediction model that is based on normalized quantile regression (NQR) is proposed to proficiently accomplish energy reduction in synchronous data collecting cycles. The introduced NQR algorithm provides high‐accuracy data prediction. With accurate estimates and reduced data transmission, energy usage is reduced. Furthermore, it extends the network's lifetime. In intracluster transmissions, NQR uses a two‐vector data‐prediction algorithm to coordinate the estimated sensor's reading, and, as a result, it will minimize cumulative inefficiencies from uninterrupted predictions. NQR algorithm can be integrated with both homogeneous and heterogeneous WSNs. When compared to state‐of‐art methods, the suggested NQR methodology is shown to have high energy efficiency, greater prediction accuracy, and more positive predictions with high data quality, which help the network to last longer.
Evaluation of the effectiveness of a novel mouth rinse containing hyaluronic acid and hydrogen peroxide on gingivitis: A randomized pilot controlled trial
Authors: Boccalari Elisa , Tadakamadla Santosh Kumar , Occhipinti Chiara , Lanteri Valentina , Maspero Cinzia
Published: February 2022

Objective

To evaluate and compare the effectiveness of a mouth rinse with hydrogen peroxide (H2O2) and hyaluronic acid (HA) versus a placebo mouth rinse on gingivitis.

Material and methods

This was a 21‐day, double blind, randomized, two‐arm parallel allocation placebo‐controlled trial of 50 study participants with a diagnosis of plaque‐induced gingivitis. Patients were randomly allocated to the test group or the placebo group and were assessed at three time points over the course of the study by the same operator, at baseline (T0), 7 days (T1), and 21 days follow‐up (T2). Primary outcomes of the trial were improvement in gingivitis and plaque accumulation.

Results

In both groups there was a decrease in gingival and plaque indices but the combination of the two actives (H2O2/HA) proved to be more effective against gingivitis (p = 0.001). Regarding plaque index, the differences between the test product and placebo were not statistically significant (p = 0.084). Besides, the new mouthwash was considered palatable, no adverse events were registered over the 21‐day period.

Conclusions

The H2O2 + HA product was more effective in reducing gingivitis when compared to a placebo while no differences were observed for plaque accumulation.
Does shareholder litigation risk promote or hinder corporate social responsibility? A quasi‐natural experiment
Authors: Jaroenjitrkam Anutchanat , Treepongkaruna Sirimon , Jiraporn Pornsit
Published: February 2022

Exploiting an exogenous shock that diminishes the shareholder litigation risk for certain firms, we examine the effect of litigation risk on corporate social responsibility. In particular, we take advantage of an unexpected ruling by the Ninth Circuit Court that raised the difficulty of shareholder litigation. Our results show that an exogenous reduction in litigation risk results in significantly stronger CSR. Lower litigation risk improves managers' job security, thereby motivating them to adopt a long‐term perspective and invest more in CSR. Further analysis validates the findings, such as propensity score matching and entropy balancing. Because our identification strategy is based on a quasi‐natural experiment, our results are more likely to show a causal effect.
Prostate cancer management with lifestyle intervention: From knowledge graph to Chatbot
Authors: Chen Yalan , Sinha Baivab , Ye Fei , Tang Tong , Wu Rongrong , He Mengqiao , Zheng Xiaonan , Shen Bairong
Published: February 2022

Background

Personal lifestyle is an important cause of prostate cancer (PCa), hence establishing a corresponding knowledge graph (KG) and a chatbot is a convenient way for preventing and assessing risks. The chatbot based on a KG of PCa‐associated lifestyles will be helpful to PCa management, then save health care resources in the ageing society.

Results

Based on our established knowledge base, we define entities and corresponding relationships to construct the PCa‐associated lifestyles KG for visualization by importing the triples into the Neo4j graph server. The dialogue system uses the Flask framework to determine the classification of questions through entity recognition and relationship extraction and later uses the query template to search the answers from the PCa‐associated lifestyles KG. The PCa‐associated lifestyles KG contains 11 types of entities and 14 types of relationships, the total number of nodes and links is 21 546 and 66 493, respectively. Also, the entity “Lifestyle”, “Paper”, “Baseline” and “Outcome” contain multiple attributes. The established chatbot can answer 12 types of basic questions and predict the probability of a certain lifestyle resulting in a certain PCa. The chatbot is available at http://sysbio.org.cn:5000/Pca/chatbot.

Conclusion

A chatbot based on PCa‐associated lifestyles KG was constructed to help researchers, physicians or patients learn more about PCa lifestyle management interactively.
Revealing the transcriptional heterogeneity of organ‐specific metastasis in human gastric cancer using single‐cell RNA Sequencing
Authors: Jiang Haiping , Yu Dingyi , Yang Penghui , Guo Rongfang , Kong Mei , Gao Yuan , Yu Xiongfei , Lu Xiaoyan , Fan Xiaohui
Published: February 2022

Background

Deciphering intra‐ and inter‐tumoural heterogeneity is essential for understanding the biology of gastric cancer (GC) and its metastasis and identifying effective therapeutic targets. However, the characteristics of different organ‐tropism metastases of GC are largely unknown.

Methods

Ten fresh human tissue samples from six patients, including primary tumour and adjacent non‐tumoural samples and six metastases from different organs or tissues (liver, peritoneum, ovary, lymph node) were evaluated using single‐cell RNA sequencing. Validation experiments were performed using histological assays and bulk transcriptomic datasets.

Results

Malignant epithelial subclusters associated with invasion features, intraperitoneal metastasis propensity, epithelial–mesenchymal transition‐induced tumour stem cell phenotypes, or dormancy‐like characteristics were discovered. High expression of the first three subcluster‐associated genes displayed worse overall survival than those with low expression in a GC cohort containing 407 samples. Immune and stromal cells exhibited cellular heterogeneity and created a pro‐tumoural and immunosuppressive microenvironment. Furthermore, a 20‐gene signature of lymph node‐derived exhausted CD8+ T cells was acquired to forecast lymph node metastasis and validated in GC cohorts. Additionally, although anti‐NKG2A (KLRC1) antibody have not been used to treat GC patients even in clinical trials, we uncovered not only malignant tumour cells but one endothelial subcluster, mucosal‐associated invariant T cells, T cell‐like B cells, plasmacytoid dendritic cells, macrophages, monocytes, and neutrophils may contribute to HLA‐E‐KLRC1/KLRC2 interaction with cytotoxic/exhausted CD8+ T cells and/or natural killer (NK) cells, suggesting novel clinical therapeutic opportunities in GC. Additionally, our findings suggested that PD‐1 expression in CD8+ T cells might predict clinical responses to PD‐1 blockade therapy in GC.

Conclusions

This study provided insights into heterogeneous microenvironment of GC primary tumours and organ‐specific metastases and provide support for precise diagnosis and treatment.
Metabolic proteins at birth predict early childhood mental health symptoms
Authors: Scott Samantha R. , Manczak Erika M.
Published: February 2022

Child mental health disorders are the leading cause of disability in children and adolescents worldwide. Biological correlates predict psychosocial outcomes throughout human development; however, less is known about metabolic proteins. Drawing from a longitudinal birth cohort study, Born in Bradford (BiB), we examined the role of infant metabolic proteins at birth in predicting early childhood mental health symptoms at 3 and 5 years. We found that higher leptin predicted more prosocial behavior at age 3. Additionally, a higher leptin‐to‐adiponectin ratio predicted increased total symptom difficulties. At age 5, we found that higher adiponectin predicted a decreased likelihood of being rated by teachers as meeting or exceeding expectations in the domain of “managing feelings and behaviors” and marginally predicted lower competency in “making relationships” on national developmental milestone evaluations. To our knowledge, this is among the first few studies to prospectively predict mental health symptoms from cord blood metabolic proteins, and the first examining this association with a leptin‐to‐adiponectin ratio. Our results provide support for the possibility that metabolic proteins at birth forecast risk for mental health symptoms in early childhood.
Estimation of pollen productivity and dispersal: How pollen assemblages in small lakes represent vegetation
Authors: Liu Yao , Ogle Kiona , Lichstein Jeremy W. , Jackson Stephen T.
Published: February 2022

Quantitative understanding of vegetation dynamics over timespans beyond a century remains limited. In this regard, the pollen‐based reconstruction of past vegetation enables unique research opportunities by quantifying changes in plant community compositions during hundreds to thousands of years. Critically, the methodological basis for most reconstruction approaches rests upon estimates of pollen productivity and dispersal. Previous studies, however, have reached contrasting conclusions concerning these estimates, which may be perceived to challenge the applicability and reliability of pollen‐based reconstruction. Here we show that conflicting estimates of pollen production and dispersal are, at least in part, artifacts of fixed assumptions of pollen dispersal and insufficient spatial resolution of vegetation data surrounding the pollen‐collecting lake. We implemented a Bayesian statistical model that related pollen assemblages in surface sediments of 33 small lakes (<2 ha) in the northeastern United States, with surrounding vegetation ranging from 101 to >105 m from the lake margin. Our analysis revealed three key insights. First, pollen productivity is largely conserved within taxa and across forest types. Second, when local (within a 1‐km radius) vegetation abundances are not considered, pollen‐source areas may be overestimated for some common taxa (Cupressaceae, Pinus, Quercus, and Tsuga). Third, pollen dispersal mechanisms may differ between local and regional scales; this is missed by pollen‐dispersal models used in previous studies. These findings highlight the complex interactions between vegetation heterogeneity on the landscape and pollen dispersal. We suggest that, when estimating pollen productivity and dispersal, both detailed local and extended regional vegetation must be taken into account. Also, both deductive (mechanistic models) and inductive (statistical models) approaches are needed to better understand the emergent properties of pollen dispersal in heterogeneous landscapes.