bluuebunny/crossref_metadata_2025 huggingface dataset:
The Glasgow Microenvironment Score and risk and site of recurrence in TNM I–III colorectal cancer
Authors: Alexander P. G. , van Wyk H. C. , Pennel K. A. F. , Hay J. , McMillan D. C. , Horgan P. G. , Roxburgh C. S. D. , Edwards J. , Park J. H.
Published: December 2022

Background

Glasgow Microenvironment Score (GMS) stratifies long-term survival into three groups based on tumour phenotype: peritumoural inflammation (Klintrup–Mäkinen (KM)) and tumour stroma percentage (TSP). However, it is not known if the location of disease recurrence is influenced by the GMS category.

Methods

Seven hundred and eighty-three TNM I–III colorectal cancers (CRC) were included. GMS (GMS0—high KM; GMS1—low KM, low TSP; GMS2—low KM, high TSP) and cancer-specific survival (CSS), overall survival (OS) and disease recurrence were assessed using Cox regression analysis.

Results

Of the 783 patients, 221 developed CRC recurrence; 65 developed local recurrence + systemic disease. GMS was independent for CSS (HR 1.50, 95% CI 1.17–1.92, p < 0.001) and OS (HR 1.23, 1.05–1.44, p = 0.01). Higher GMS category was associated with T-stage, N-stage, emergency presentation and venous invasion. GMS was independent for local+systemic recurrence (HR 11.53, 95% CI 1.45–91.85, p = 0.04) and distant-only recurrence (HR 3.01, 95% CI 1.59–5.71, p = 0.002). GMS 2 disease did not appear to have statistically better outcomes with adjuvant chemotherapy in high-risk disease.

Conclusion

Although confounded by a higher rate of T4 and node-positive disease, GMS 1 and 2 are associated with an increased risk of local and distant recurrence. GMS is an independent poor prognostic indicator for recurrent colorectal cancer. Higher GMS patients may benefit from enhanced postoperative surveillance.
Two contrasting papers stimulate a commentary on the origins of tumour immunology, current cancer immunotherapies, and the future potential for cancer immunotherapy
Authors: Bodmer Walter
Published: December 2022

Two early papers expressing conflicting views on the occurrence of effective immune attack against cancers stimulate an analysis of the gradual development of an understanding of tumour biology. This understanding has led to the development of the strikingly effective check point blocking and CART anti-cancer immunotherapies, and the promise of more widely applicable therapies based on T cell attracting genetically engineered monoclonal antibodies.
HN1L/AP-2γ/PLK1 signaling drives tumor progression and chemotherapy resistance in esophageal squamous cell carcinoma
Authors: Zeng Ting-Ting , Deng Tian-Hao , Liu Zhen , Zhan Jia-Rong , Ma Yuan-Zhen , Yan Yuan-Yuan , Sun Xiao , Zhu Ying-Hui , Li Yan , Guan Xin-Yuan , Li Lei
Published: December 2022

Hematological and neurological expressed 1 like (HN1L) is a newly identified oncogene in lung cancer and hepatocellular carcinoma recently identified by our team, but its roles in the development and treatment of esophageal squamous cell carcinoma (ESCC) remain incompletely cataloged. Here, using ESCC tissue array and public database analysis, we demonstrated that HN1L was highly expressed in ESCC tissues, which was associated with tumor tissue invasion, poor clinical stage and short survival for ESCC patients. Loss- and gain-of-function studies in ESCC cells revealed that HN1L enhances ESCC cell metastasis and proliferation in vitro and in mice models. Moreover, high level of HN1L reduces the sensibility of ESCC cells to chemotherapeutic drugs, such as Docetaxel. Mechanism studies revealed that HN1L activated the transcription of polo-like kinase 1 (PLK1) by interacting with transcription factor AP-2γ, which increased the expression of malignancy related proteins Cyclin D1 and Slug in ESCC cells. Blocking PLK1 with inhibitor BI-2356 abrogated the oncogenic function of HN1L and significantly suppressed ESCC progression by combining with chemotherapy. Therefore, this study demonstrates the vital pro-tumor role of HN1L/AP-2γ/PLK1 signaling axis in ESCC, offering a potential therapeutic strategy for ESCC patients with high HN1L by blocking PLK1.
Effect of trabeculectomy on the rate of progression of visual field damage
Authors: Koenig Susanna Friederike , Montesano Giovanni , Fang Clarissa Ern Hui , Crabb David Paul , Jayaram Hari , Clarke Jonathan
Published: December 2022

Objectives

This study quantifies the effect of trabeculectomy on the rate of progression (RoP) of visual field (VF) damage utilising pre- and post-operative visual function as the outcome instead of surrogate outcomes of success.

Methods

Clinical and VF data from 199 sequential patients who underwent trabeculectomy between 2015 and 2016 were extracted from the network of sites of Moorfields Eye Hospital NHS Foundation Trust. Of these, we analysed 80 eyes of 74 patients who met our inclusion criteria of at least three reliable VFs before and after surgery (false positive rate <15%). The change in mean RoP (dB/year) was tested using point-wise sensitivity values through a mixed effect model with random effects on both intercepts and slopes. A broken-stick regression of sensitivity over time, with a breakpoint at the day of surgery, modelled the individual change in RoP.

Results

We analysed 10 [9,12] VFs per subject (Median [Interquartile Range]). At surgery, the age was 67 [57, 72] years, mean deviation was −10.84 [−14.7, −5.6] dB and the IOP was 18 [15, 20] mmHg. One year after surgery, the IOP was 10 [8,13] mmHg (p = 0.002). Mean RoP before surgery was −0.94 [−1.20, −0.69] dB/year (Mean [95% credible intervals]) and it was slowed down by 0.62 [0.26, 0.97] dB/year (p < 0.001) after surgery.

Conclusions

Trabeculectomy leads to a significant reduction in the RoP of VF loss postoperatively.
Management of presumed trematode-induced granulomatous intermediate uveitis
Authors: Amin Rana Hussein , Abdullatif Abdussalam Mohsen
Published: December 2022

Purpose

To describe the surgical management of presumed trematode-induced granulomatous intermediate uveitis (PTIGIU) not responding to medical treatment in controlling the inflammation.

Methods

A prospective, interventional, single-center study in which patients with a history of fresh canal water contact and PTIGIU were enrolled. All patients underwent lensectomy–pars plana vitrectomy (PPV) and post-operative control of inflammation, functional and anatomical outcomes were assessed.

Results

Fifteen eyes of 12 patients were included in the study with median age of 11.6 ± 4 yrs. Six months following lensectomy-PPV, inflammation was well controlled in all patients. The eyes were divided into two groups: Group A: 10 patients with an attached retina while Group B: 5 patients who were in the cicatricial stage with tractional retinal detachment. All patients in group A had CDVA of 20/40 or better, unlike patients in group B who failed to achieve a CDVA better than 20/70 throughout their follow-up. In group B, final anatomical success was achieved in only 40% with hypotony occurring in 20%.

Conclusion

PTIGIU is associated with the presence of ciliary body granuloma which, if left untreated, can lead to drastic outcomes. Early lensectomy-PPV represents a viable management option in cases resistant to medical treatment, with a favorable outcome.
Organocatalyst-mediated five-pot synthesis of (–)-quinine
Authors: Terunuma Takahiro , Hayashi Yujiro
Published: December 2022

In this work, the enantioselective total synthesis of (–)-quinine has been accomplished in a pot-economical manner using five reaction vessels. In the first pot, reactions involve the diphenylprolinol silyl ether-mediated Michael reaction, aza-Henry reaction, hemiaminalization, and elimination of HNO2 (five reactions), affording a chiral tetrahydropyridine with excellent enantioselectivity. In the second pot, five reactions proceed with excellent diastereoselectivity to afford a trisubstituted piperidine with the desired stereochemistry. A further five reactions are carried out in the last one-pot sequence.
Breast cancer prevention by short-term inhibition of TGFβ signaling
Authors: Alečković Maša , Cristea Simona , Gil Del Alcazar Carlos R. , Yan Pengze , Ding Lina , Krop Ethan D. , Harper Nicholas W. , Rojas Jimenez Ernesto , Lu Donghao , Gulvady Anushree C. , Foidart Pierre , Seehawer Marco , Diciaccio Benedetto , Murphy Katherine C. , Pyrdol Jason , Anand Jayati , Garza Kodie , Wucherpfennig Kai W. , Tamimi Rulla M. , Michor Franziska , Polyak Kornelia
Published: December 2022

Cancer prevention has a profound impact on cancer-associated mortality and morbidity. We previously identified TGFβ signaling as a candidate regulator of mammary epithelial cells associated with breast cancer risk. Here, we show that short-term TGFBR inhibitor (TGFBRi) treatment of peripubertal ACI inbred and Sprague Dawley outbred rats induces lasting changes and prevents estrogen- and carcinogen-induced mammary tumors, respectively. We identify TGFBRi-responsive cell populations by single cell RNA-sequencing, including a unique epithelial subpopulation designated secretory basal cells (SBCs) with progenitor features. We detect SBCs in normal human breast tissues and find them to be associated with breast cancer risk. Interactome analysis identifies SBCs as the most interactive cell population and the main source of insulin-IGF signaling. Accordingly, inhibition of TGFBR and IGF1R decrease proliferation of organoid cultures. Our results reveal a critical role for TGFβ in regulating mammary epithelial cells relevant to breast cancer and serve as a proof-of-principle cancer prevention strategy.
pGlycoQuant with a deep residual network for quantitative glycoproteomics at intact glycopeptide level
Authors: Kong Siyuan , Gong Pengyun , Zeng Wen-Feng , Jiang Biyun , Hou Xinhang , Zhang Yang , Zhao Huanhuan , Liu Mingqi , Yan Guoquan , Zhou Xinwen , Qiao Xihua , Wu Mengxi , Yang Pengyuan , Liu Chao , Cao Weiqian
Published: December 2022

Large-scale intact glycopeptide identification has been advanced by software tools. However, tools for quantitative analysis remain lagging behind, which hinders exploring the differential site-specific glycosylation. Here, we report pGlycoQuant, a generic tool for both primary and tandem mass spectrometry-based intact glycopeptide quantitation. pGlycoQuant advances in glycopeptide matching through applying a deep learning model that reduces missing values by 19–89% compared with Byologic, MSFragger-Glyco, Skyline, and Proteome Discoverer, as well as a Match In Run algorithm for more glycopeptide coverage, greatly expanding the quantitative function of several widely used search engines, including pGlyco 2.0, pGlyco3, Byonic and MSFragger-Glyco. Further application of pGlycoQuant to the N-glycoproteomic study in three different metastatic HCC cell lines quantifies 6435 intact N-glycopeptides and, together with in vitro molecular biology experiments, illustrates site 979-core fucosylation of L1CAM as a potential regulator of HCC metastasis. We expected further applications of the freely available pGlycoQuant in glycoproteomic studies.
Quantifying the role of transcript levels in mediating DNA methylation effects on complex traits and diseases
Authors: Sadler Marie C. , Auwerx Chiara , Lepik Kaido , Porcu Eleonora , Kutalik Zoltán
Published: December 2022

High-dimensional omics datasets provide valuable resources to determine the causal role of molecular traits in mediating the path from genotype to phenotype. Making use of molecular quantitative trait loci (QTL) and genome-wide association study (GWAS) summary statistics, we propose a multivariable Mendelian randomization (MVMR) framework to quantify the proportion of the impact of the DNA methylome (DNAm) on complex traits that is propagated through the assayed transcriptome. Evaluating 50 complex traits, we find that on average at least 28.3% (95% CI: [26.9%–29.8%]) of DNAm-to-trait effects are mediated through (typically multiple) transcripts in the cis-region. Several regulatory mechanisms are hypothesized, including methylation of the promoter probe cg10385390 (chr1:8’022’505) increasing the risk for inflammatory bowel disease by reducing PARK7 expression. The proposed integrative framework can be extended to other omics layers to identify causal molecular chains, providing a powerful tool to map and interpret GWAS signals.
An in silico method to assess antibody fragment polyreactivity
Authors: Harvey Edward P. , Shin Jung-Eun , Skiba Meredith A. , Nemeth Genevieve R. , Hurley Joseph D. , Wellner Alon , Shaw Ada Y. , Miranda Victor G. , Min Joseph K. , Liu Chang C. , Marks Debora S. , Kruse Andrew C.
Published: December 2022

Antibodies are essential biological research tools and important therapeutic agents, but some exhibit non-specific binding to off-target proteins and other biomolecules. Such polyreactive antibodies compromise screening pipelines, lead to incorrect and irreproducible experimental results, and are generally intractable for clinical development. Here, we design a set of experiments using a diverse naïve synthetic camelid antibody fragment (nanobody) library to enable machine learning models to accurately assess polyreactivity from protein sequence (AUC > 0.8). Moreover, our models provide quantitative scoring metrics that predict the effect of amino acid substitutions on polyreactivity. We experimentally test our models’ performance on three independent nanobody scaffolds, where over 90% of predicted substitutions successfully reduced polyreactivity. Importantly, the models allow us to diminish the polyreactivity of an angiotensin II type I receptor antagonist nanobody, without compromising its functional properties. We provide a companion web-server that offers a straightforward means of predicting polyreactivity and polyreactivity-reducing mutations for any given nanobody sequence.
Multiregional single-cell dissection of tumor and immune cells reveals stable lock-and-key features in liver cancer
Authors: Ma Lichun , Heinrich Sophia , Wang Limin , Keggenhoff Friederike L. , Khatib Subreen , Forgues Marshonna , Kelly Michael , Hewitt Stephen M. , Saif Areeba , Hernandez Jonathan M. , Mabry Donna , Kloeckner Roman , Greten Tim F. , Chaisaingmongkol Jittiporn , Ruchirawat Mathuros , Marquardt Jens U. , Wang Xin Wei
Published: December 2022

Intratumor heterogeneity may result from the evolution of tumor cells and their continuous interactions with the tumor microenvironment which collectively drives tumorigenesis. However, an appearance of cellular and molecular heterogeneity creates a challenge to define molecular features linked to tumor malignancy. Here we perform multiregional single-cell RNA sequencing (scRNA-seq) analysis of seven liver cancer patients (four hepatocellular carcinoma, HCC and three intrahepatic cholangiocarcinoma, iCCA). We identify cellular dynamics of malignant cells and their communication networks with tumor-associated immune cells, which are validated using additional scRNA-seq data of 25 HCC and 12 iCCA patients as a stable fingerprint embedded in a malignant ecosystem representing features of tumor aggressiveness. We further validate the top ligand-receptor interaction pairs (i.e., LGALS9-SLC1A5 and SPP1-PTGER4 between tumor cells and macrophages) associated with unique transcriptome in additional 542 HCC patients. Our study unveils stable molecular networks of malignant ecosystems, which may open a path for therapeutic exploration.
Decoupling of respiration rates and abundance in marine prokaryoplankton
Authors: Munson-McGee Jacob H. , Lindsay Melody R. , Sintes Eva , Brown Julia M. , D’Angelo Timothy , Brown Joe , Lubelczyk Laura C. , Tomko Paxton , Emerson David , Orcutt Beth N. , Poulton Nicole J. , Herndl Gerhard J. , Stepanauskas Ramunas
Published: December 2022

The ocean–atmosphere exchange of CO2 largely depends on the balance between marine microbial photosynthesis and respiration. Despite vast taxonomic and metabolic diversity among marine planktonic bacteria and archaea (prokaryoplankton)1–3, their respiration usually is measured in bulk and treated as a ‘black box’ in global biogeochemical models4; this limits the mechanistic understanding of the global carbon cycle. Here, using a technology for integrated phenotype analyses and genomic sequencing of individual microbial cells, we show that cell-specific respiration rates differ by more than 1,000× among prokaryoplankton genera. The majority of respiration was found to be performed by minority members of prokaryoplankton (including the Roseobacter cluster), whereas cells of the most prevalent lineages (including Pelagibacter and SAR86) had extremely low respiration rates. The decoupling of respiration rates from abundance among lineages, elevated counts of proteorhodopsin transcripts in Pelagibacter and SAR86 cells and elevated respiration of SAR86 at night indicate that proteorhodopsin-based phototrophy3,5–7 probably constitutes an important source of energy to prokaryoplankton and may increase growth efficiency. These findings suggest that the dependence of prokaryoplankton on respiration and remineralization of phytoplankton-derived organic carbon into CO2 for its energy demands and growth may be lower than commonly assumed and variable among lineages.
Particle filtration efficiency measured using sodium chloride and polystyrene latex sphere test methods
Authors: Sipkens Timothy A. , Corbin Joel C. , Oldershaw Andrew , Smallwood Gregory J.
Published: December 2022

Standards governing face masks differ in the test methods used to determine sub-micron particle filtration efficiency (PFE), such that the meaning of PFE is not universal. Unifying the meaning of PFE requires data using these different test methods to drive improvements in standards. This simple data set provides the equivalence between two major test methods used to assess PFE: (1) a test method using a neutralized, polydisperse sodium chloride (NaCl) and (2) a test method using an unneutralized, “monodisperse” polystyrene latex sphere (PSL) aerosols. Measurements are made on over 5800 real-world medical masks, leading to the establishment of a relationship between these two kinds of PFE for these products.
A vector-agent approach to (spatiotemporal) movement modelling and reasoning
Authors: Rahimi Saeed , Moore Antoni B. , Whigham Peter A.
Published: December 2022

Modelling a complex system of autonomous individuals moving through space and time essentially entails understanding the (heterogeneous) spatiotemporal context, interactions with other individuals, their internal states and making any underlying causal interrelationships explicit, a task for which agents (including vector-agents) are specifically well-suited. Building on a conceptual model of agent space–time and reasoning behaviour, a design guideline for an implemented vector-agent model is presented. The movement of football players was chosen as it is appropriately constrained in space, time and individual actions. Sensitivity-variability analysis was applied to measure the performance of different configurations of system components on the emergent movement patterns. The model output varied more when the condition of the contextual actors (players’ role-areas) was manipulated. The current study shows how agent-based modelling can contribute to our understanding of movement and how causally relevant evidence can be produced, illustrated through a spatiotemporally constrained football case-study.
A GBD 2019 study of health and Sustainable Development Goal gains and forecasts to 2030 in Spain
Authors: Lazarus Jeffrey V. , Ortiz Alberto , Tyrovolas Stefanos , Fernández Esteve , Guy Danielle , White Trenton M. , Ma Rui , Hay Simon I. , Naghavi Mohsen , Soriano Joan B. ,   The GBD 2019 Spain Collaborators, García-Basteiro Alberto L. , Ayuso-Mateos Jose L. , Bassat Quique , Benavides Fernando G. , Giné-Vázquez Iago , Haro Josep Maria , Koyanagi Ai , Martinez-Raga Jose , Padron-Monedero Alicia , Peñalvo José L. , Pérez-Gómez Jorge , Rojas-Rueda David , Sarmiento-Suárez Rodrigo , Tabarés-Seisdedos Rafael
Published: December 2022

This study aimed to report mortality, risk factors, and burden of diseases in Spain. The Global Burden of Disease, Injuries, and Risk Factors 2019 estimates the burden due to 369 diseases, injuries, and impairments and 87 risk factors and risk factor combinations. Here, we detail the updated Spain 1990–2019 burden of disease estimates and project certain metrics up to 2030. In 2019, leading causes of death were ischaemic heart disease, stroke, chronic obstructive pulmonary disease, Alzheimer’s disease, and lung cancer. Main causes of disability adjusted life years (DALYs) were ischaemic heart disease, diabetes, lung cancer, low back pain, and stroke. Leading DALYs risk factors included smoking, high body mass index, and high fasting plasma glucose. Spain scored 74/100 among all health-related Sustainable Development Goals (SDGs) indicators, ranking 20 of 195 countries and territories. We forecasted that by 2030, Spain would outpace Japan, the United States, and the European Union. Behavioural risk factors, such as smoking and poor diet, and environmental factors added a significant burden to the Spanish population’s health in 2019. Monitoring these trends, particularly in light of COVID-19, is essential to prioritise interventions that will reduce the future burden of disease to meet population health and SDG commitments.
DrugRepo: a novel approach to repurposing drugs based on chemical and genomic features
Authors: Wang Yinyin , Aldahdooh Jehad , Hu Yingying , Yang Hongbin , Vähä-Koskela Markus , Tang Jing , Tanoli Ziaurrehman
Published: December 2022

The drug development process consumes 9–12 years and approximately one billion US dollars in costs. Due to the high finances and time costs required by the traditional drug discovery paradigm, repurposing old drugs to treat cancer and rare diseases is becoming popular. Computational approaches are mainly data-driven and involve a systematic analysis of different data types leading to the formulation of repurposing hypotheses. This study presents a novel scoring algorithm based on chemical and genomic data to repurpose drugs for 669 diseases from 22 groups, including various cancers, musculoskeletal, infections, cardiovascular, and skin diseases. The data types used to design the scoring algorithm are chemical structures, drug-target interactions (DTI), pathways, and disease-gene associations. The repurposed scoring algorithm is strengthened by integrating the most comprehensive manually curated datasets for each data type. At DrugRepo score ≥ 0.4, we repurposed 516 approved drugs across 545 diseases. Moreover, hundreds of novel predicted compounds can be matched with ongoing studies at clinical trials. Our analysis is supported by a web tool available at: http://drugrepo.org/.
Obesity is associated with early recurrence on breast cancer patients that achieved pathological complete response to neoadjuvant chemotherapy
Authors: Acevedo Francisco , Walbaum Benjamín , Muñiz Sabrina , Petric Militza , Martínez Raúl , Guerra Constanza , Navarro Marisel , Córdova-Delgado Miguel , Pinto Mauricio P. , Sánchez Cesar
Published: December 2022

Pathological complete response (pCR) after neoadjuvant chemotherapy (NCT) is associated with good long-term prognosis in breast cancer (BC) patients. However, some patients still recur and eventually die from this disease. For years, clinical stage at diagnosis has been consistently linked to recurrence and survival in the pCR setting. Herein, we aimed to identify other potential predictors of recurrence and survival in patients that achieved pCR. We performed a retrospective analysis of patients diagnosed between 2011 and 2020 in our center. We calculated overall survival (OS), invasive disease-free survival (IDFS), distant disease-free survival (DDFS), and BC-specific survival (BCSS). Among the 241 patients included into our study 36% were obese (Body Mass Index (BMI) > 29.9 kg/m2) and 47% were stage III. Multivariate analysis confirmed that obesity was a significant risk factor associated with early recurrence and poorer survival in these patients. In summary, obesity and clinical stage predict early recurrence and poorer survival in patients that achieved pCR after NCT. Pending further investigation and based on our findings we speculate that weight management could be beneficial for this subset of patients. To our knowledge, this is the first Latin American report linking obesity and recurrence within this setting.
A proof of concept for a deep learning system that can aid embryologists in predicting blastocyst survival after thaw
Authors: Marsh P. , Radif D. , Rajpurkar P. , Wang Z. , Hariton E. , Ribeiro S. , Simbulan R. , Kaing A. , Lin W. , Rajah A. , Rabara F. , Lungren M. , Demirci U. , Ng A. , Rosen M.
Published: December 2022

The ability to understand whether embryos survive the thaw process is crucial to transferring competent embryos that can lead to pregnancy. The objective of this study was to develop a proof of concept deep learning model capable of assisting embryologist assessment of survival of thawed blastocysts prior to embryo transfer. A deep learning model was developed using 652 labeled time-lapse videos of freeze–thaw blastocysts. The model was evaluated against and along embryologists on a test set of 99 freeze–thaw blastocysts, using images obtained at 0.5 h increments from 0 to 3 h post-thaw. The model achieved AUCs of 0.869 (95% CI 0.789, 0.934) and 0.807 (95% CI 0.717, 0.886) and the embryologists achieved average AUCs of 0.829 (95% CI 0.747, 0.896) and 0.850 (95% CI 0.773, 0.908) at 2 h and 3 h, respectively. Combining embryologist predictions with model predictions resulted in a significant increase in AUC of 0.051 (95% CI 0.021, 0.083) at 2 h, and an equivalent increase in AUC of 0.010 (95% CI −0.018, 0.037) at 3 h. This study suggests that a deep learning model can predict in vitro blastocyst survival after thaw in aneuploid embryos. After correlation with clinical outcomes of transferred embryos, this model may help embryologists ascertain which embryos may have failed to survive the thaw process and increase the likelihood of pregnancy by preventing the transfer of non-viable embryos.
Age-associated B cells are long-lasting effectors that impede latent γHV68 reactivation
Authors: Mouat Isobel C. , Shanina Iryna , Horwitz Marc S.
Published: December 2022

Age-associated B cells (ABCs; CD19+CD11c+T-bet+) are a unique population that are increased in an array of viral infections, though their role during latent infection is largely unexplored. Here, we use murine gammaherpesvirus 68 (γHV68) to demonstrate that ABCs remain elevated long-term during latent infection and express IFNγ and TNF. Using a recombinant γHV68 that is cleared following acute infection, we show that ABCs persist in the absence of latent virus, though their expression of IFNγ and TNF is decreased. With a fluorescent reporter gene-expressing γHV68 we demonstrate that ABCs are infected with γHV68 at similar rates to other previously activated B cells. We find that mice without ABCs display defects in anti-viral IgG2a/c antibodies and are more susceptible to reactivation of γHV68 following virus challenges that typically do not break latency. Together, these results indicate that ABCs are a persistent effector subset during latent viral infection that impedes γHV68 reactivation.
Plastic adjustments in xylem vessel traits to drought events in three Cedrela species from Peruvian Tropical Andean forests
Authors: Rodríguez-Ramírez Ernesto C. , Ferrero M. Eugenia , Acevedo-Vega Ingrith , Crispin-DelaCruz Doris B. , Ticse-Otarola Ginette , Requena-Rojas Edilson J.
Published: December 2022

Cedrela species occur within the Tropical montane cloud forest (TMCF) and rainforest in North America (Mexico), Central and South America. We assessed the hypothesis that functional xylem hydraulic architecture might be influenced by specific climatic variations. We investigated the effect of climate on tree-ring width and vessel traits (diameter, vessel density, vulnerability index and hydraulic diameter) of three relict-endemic and threatened Cedrela species (Cedrela fissilis, C. nebulosa and C. angustifolia) inhabiting Peruvian Tropical Andean cloud forests. All Cedrela species showed a significant reduction in radial growth and adjusted vessel trait linked with temperature, precipitation, and evapotranspiration. Ring-width and vessel traits showed adaptation within Cedrela species, crucial to understanding a rough indication of the plant’s ability to withstand drought-induced embolism or cavitation. Our results provide evidence for hydraulic mechanisms that determine specific wood anatomical functionality to climatic variation and drought responses. Therefore, changing the frequency or intensity of future drought events might exceed the adaptive limits of TMCF tree species, resulting in a substantial reduction of hydraulic functionality in Peruvian Cedrela species.
Green synthesis of nanosized N,N'-bis(1-naphthylidene)-4,4'-diaminodiphenylmethane and its metal (II) complexes and evaluation of their biological activity
Authors: Hassan Hammed H. A. M. , Hussein Hend M. , Elhusseiny Amel F.
Published: December 2022

Condensation of ecofriendly synthesized 4,4’-methanedianiline with 2-hydroxy-1-naphthaldehyde produced a (1:1) octopus-like Schiff base mixed ligand. Reaction with Co(OAc)2⋅H2O, NiCl2⋅6H2O, Cu(OAc)2⋅H2O and Zn(OAc)2⋅2H2O metals furnished their complexes in high yield and purity. All new structures were fully characterized by various spectroscopic and spectrometric measurements. The complexes exhibited high thermal stability up to 700 °C, leaving nearly 40% of their mass as residues. Antimicrobial screening results exhibited moderate activities towards all studied microbes. Antioxidant screening was concentration dependent, and their activities were in the order Ni(II) > Zn(II) > Cu(II) > Co(II) complexes. The NO inhibitory effect revealed that the nickel complex exhibited the highest activity, whereas the cobalt complex showed the lowest inhibition. All compounds showed a significant lipid peroxidation inhibitory effect against oxidative stress. The complexes significantly diminished the TBARS level, and the nickel complex exhibited the highest inhibition at p < 0.01. Antioxidants stress the oxidative damage induced by iron, indicating that the nickel complex has the highest reducing activity. The inhibitory effect against acetylcholine esterase showed that the copper complex has the highest activity. Membrane stabilization activities clearly indicated that most compounds can improve the integrity of the cells and stability of their membrane, and this result may be related to their antioxidant capacity to protect against cytotoxicity. The nickel complex exhibited a stronger total antioxidant capacity than the other complexes. The biological and antioxidant capacities of these complexes may make them promising candidates in pharmaceutical applications.
Road to entire insulation for resonances from a forced mechanical system
Authors: Zhu Guangnan , Cao Qingjie , Wang Zhenkun , Zhang Yuntian , Chen Yushu , Woo Ko-Choong
Published: December 2022

The effective solution to avoid machinery damage caused by resonance has been perplexing the field of engineering as a core research direction since the resonance phenomenon was discovered by Euler in 1750. Numerous attempts have been performed to reduce the influence of resonance since the earlier of last century, by introducing a nonlinear structure or a closed-loop control system. However, the existed methodologies cannot eliminate resonance completely even extra problems were introduced inevitably, which means the technical choke-point of resonance-free remains unsolved. Here we propose a designable archetype model, which establishes a mapping between the mechanical properties and its structure. A general inverse method for structure construction is proposed based upon the required property for the system with quasi-zero stiffness of any designed finite order and the zero-stiffness properties. It is shown that an ellipse trajectory tracking of the designed model is the sufficient and necessary condition to satisfy the zero-stiffness property. Theoretical analysis shows that no resonant response happens in a zero-stiffness system to the full-band frequency excitation, or equivalently, the system can completely isolate the energy transfer between the load and environment, when the damping ratio approaches zero. Finally, an experimental rig for the prototype structure is built up according to the sufficient and necessary condition of the zero-stiffness system, for which the special dynamic behaviours are verified through experiments of frequency-sweep and random-vibration as well. Experimental results show that the prototype of the initial vibration isolation frequency of zero-stiffness system is much lower than 0.37 Hz, and the vibration attenuation of the proposed model is about 16.86 dB, 45.63 dB, and 112.37 dB at frequencies of 0.37 Hz, 1 Hz, and 10 Hz, respectively. The distinguished geometric structure of the zero-stiffness system leads to a new inspiration for the design of resonance-free in metamaterial unit and the inverse method can even adapt the design for a more targeted applications based on an arbitrary complex dynamic requirement.
Heterogeneous graph construction and HinSAGE learning from electronic medical records
Authors: Cho Ha Na , Ahn Imjin , Gwon Hansle , Kang Hee Jun , Kim Yunha , Seo Hyeram , Choi Heejung , Kim Minkyoung , Han Jiye , Kee Gaeun , Jun Tae Joon , Kim Young-Hak
Published: December 2022

Graph representation learning is a method for introducing how to effectively construct and learn patient embeddings using electronic medical records. Adapting the integration will support and advance the previous methods to predict the prognosis of patients in network models. This study aims to address the challenge of implementing a complex and highly heterogeneous dataset, including the following: (1) demonstrating how to build a multi-attributed and multi-relational graph model (2) and applying a downstream disease prediction task of a patient’s prognosis using the HinSAGE algorithm. We present a bipartite graph schema and a graph database construction in detail. The first constructed graph database illustrates a query of a predictive network that provides analytical insights using a graph representation of a patient’s journey. Moreover, we demonstrate an alternative bipartite model where we apply the model to the HinSAGE to perform the link prediction task for predicting the event occurrence. Consequently, the performance evaluation indicated that our heterogeneous graph model was successfully predicted as a baseline model. Overall, our graph database successfully demonstrated efficient real-time query performance and showed HinSAGE implementation to predict cardiovascular disease event outcomes on supervised link prediction learning.
Compressed composite carbon felt as a negative electrode for a zinc–iron flow battery
Authors: Saupsor Janenipa , Sangsawang Jinnawat , Kao-ian Wathanyu , Mahlendorf Falko , Mohamad Ahmad Azmin , Cheacharoen Rongrong , Kheawhom Soorathep , Somwangthanaroj Anongnat
Published: December 2022

Flow batteries possess several attractive features including long cycle life, flexible design, ease of scaling up, and high safety. They are considered an excellent choice for large-scale energy storage. Carbon felt (CF) electrodes are commonly used as porous electrodes in flow batteries. In vanadium flow batteries, both active materials and discharge products are in a liquid phase, thus leaving no trace on the electrode surface. However, zinc-based flow batteries involve zinc deposition/dissolution, structure and configuration of the electrode significantly determine stability and performance of the battery. Herein, fabrication of a compressed composite using CF with polyvinylidene fluoride (PVDF) is investigated in a Zn–Fe flow battery (ZFB). Graphene (G) is successfully introduced in order to improve its electrochemical activity towards zinc reactions on the negative side of the ZFB. A compressed composite CF electrode offers more uniform electric field and lower nucleation overpotential (NOP) of zinc than a pristine CF, resulting in higher zinc plating/stripping efficiency. Batteries with modified electrodes are seen to provide lower overpotential. Particularly, the G-PVDF-CF electrode demonstrates maximum discharge capacity of 39.6 mAh cm−2 with coulombic efficiency and energy efficiency over 96% and 61%, respectively. Finally, results lead to increased efficiency and cycling stability for flow batteries.
Offshore tethered platform springing response statistics
Authors: Gaidai Oleg , Xu Jingxiang , Hu Qingsong , Xing Yihan , Zhang Fuxi
Published: December 2022

This paper demonstrates the validity of the Naess–Gadai method for extrapolating extreme value statistics of second-order Volterra series processes through application on a representative model of a deep water small size tension leg platform (TLP), with specific focus on wave sum frequency effects affecting restrained modes: heave, roll and pitch. The wave loading was estimated from a second order diffraction code WAMIT, and the stochastic TLP structural response in a random sea state was calculated exactly using Volterra series representation of the TLP corner vertical displacement, chosen as a response process. Although the wave loading was assumed to be a second order (non-linear) process, the dynamic system was modelled as a linear damped mass-spring system. Next, the mean up-crossing rate based extrapolation method (Naess–Gaidai method) was applied to calculate response levels at low probability levels. Since exact solution was available via Volterra series representation, both predictions were compared in this study, namely the exact Volterra and the approximate one. The latter gave a consistent way to estimate efficiency and accuracy of Naess–Gaidai extrapolation method. Therefore the main goal of this study was to validate Naess–Gaidai extrapolation method by available analytical-based exact solution. Moreover, this paper highlights limitations of mean up-crossing rate based extrapolation methods for the case of narrow band effects, such as clustering, typically included in the springing type of response.
The subcortical and neurochemical organization of the ventral and dorsal attention networks
Authors: Alves Pedro Nascimento , Forkel Stephanie J. , Corbetta Maurizio , Thiebaut de Schotten Michel
Published: December 2022

Attention is a core cognitive function that filters and selects behaviourally relevant information in the environment. The cortical mapping of attentional systems identified two segregated networks that mediate stimulus-driven and goal-driven processes, the Ventral and the Dorsal Attention Networks (VAN, DAN). Deep brain electrophysiological recordings, behavioral data from phylogenetic distant species, and observations from human brain pathologies challenge purely corticocentric models. Here, we used advanced methods of functional alignment applied to resting-state functional connectivity analyses to map the subcortical architecture of the Ventral and Dorsal Attention Networks. Our investigations revealed the involvement of the pulvinar, the superior colliculi, the head of caudate nuclei, and a cluster of brainstem nuclei relevant to both networks. These nuclei are densely connected structural network hubs, as revealed by diffusion-weighted imaging tractography. Their projections establish interrelations with the acetylcholine nicotinic receptor as well as dopamine and serotonin transporters, as demonstrated in a spatial correlation analysis with a normative atlas of neurotransmitter systems. This convergence of functional, structural, and neurochemical evidence provides a comprehensive framework to understand the neural basis of attention across different species and brain diseases.
Chemometrics-assisted excitation–emission matrix fluorescence spectroscopy for rapid identification of commercial reconstituted and sweetened grape juices
Authors: Liu Bing-Bing , Wu Hai-Long , Chen Yue , Wang Tong , Yu Ru-Qin
Published: December 2022

Excitation–emission matrix fluorescence spectroscopy combined with chemometric methods for the identification and classification of commercial reconstituted and sweetened grape juices.
Design and analysis of in-plane and out-of-plane heterostructures based on monolayer tri-G with enhanced photocatalytic property for water splitting
Authors: Wang Huijuan , Zheng Xiaole , Li Xinxin , He Linxin , Guo Jiasen , Chen Ying , Lin Hua , Tang Jianfeng , Li Chunmei
Published: December 2022

Design and analysis of in-plane and out-of-plane heterostructures of monolayer tri-G and cha-G, with enhanced photocatalytic properties for water splitting.
Machine learning in computational chemistry: interplay between (non)linearity, basis sets, and dimensionality
Authors: Manzhos Sergei , Tsuda Shunsaku , Ihara Manabu
Published: December 2022

A basis expansion view of popular ML methods is useful and can explain their properties and pitfalls, in particular in high-dimensional spaces and under low density, uneven data distribution.
TICT compounds by design: comparison of two naphthalimide-π-dimethylaniline conjugates of different lengths and ground state geometries
Authors: Jovaišaitė Justina , Baronas Paulius , Jonusauskas Gediminas , Gudeika Dalius , Gruodis Alytis , Gražulevičius Juozas V. , Juršėnas Saulius
Published: December 2022

Two new naphthalimide-π-dimethylaniline derivatives possess twisted charge transfer (TICT) excited states with reaction rates outcompeting dynamic solvation.
Dynamics of self-propelled tracer particles inside a polymer network
Authors: Kumar Praveen , Chakrabarti Rajarshi
Published: December 2022

Computer simulations of self-propelled tracer particles, transporting through a 3D polymer network, reveal how the self-propulsion (activity), network rigidity, and the size of the tracer control the dynamics.
High thermoelectric performance of a Sc2Si2Te6 monolayer at medium temperatures: an ab initio study
Authors: Shi Wenwu , Ge Nina , Yu Sheng , Wu Jiajing , Hu Tao , Wei Jun , Yan Xiao , Wang Xinzhong , Wang Zhiguo
Published: December 2022

A Sc2Si2Te6 monolayer has lower lattice thermal conductivities of 11.07 and 3.62 W m−1 K−1 at temperatures of 300 K and 700 K, respectively. Moreover, it reaches superior figure of merit value of 3.81 at moderate temperature.
A systematic study on immiscible binary systems undergoing thermal/photo reversible chemical reactions
Authors: Li Changhao , Li Jianfeng , Zhang Hongdong , Yang Yuliang
Published: December 2022

Numerical simulations show that the wavelength of the light-induced dissipative patterns depends on the input energy density.
Effect of Ni atomic fraction on active species of graphene growth on Cu–Ni alloy catalysts: a density functional theory study
Authors: Yutomo Erik Bhekti , Noor Fatimah Arofiati , Winata Toto
Published: December 2022

The CH and C monomers on the surface are the active species on Cu–Ni catalysts with low Ni atomic fractions. In contrast, the C monomer species on the subsurface acts as an active species on a Cu–Ni catalyst with a high Ni atomic fraction.
“Thermal escape” of MTNP: the phase separation of CL-20/MTNP cocrystals under long-term heating
Authors: Yang Fang , Yang Zongwei , Yu Qian , Li Gang , Zhao Chuande , Tian Yong
Published: December 2022

The phase separation of CL-20/MTNP cocrystals (“thermal escape” of MTNP) under long-term heating was observed for the first time.
Pure rotational R(0) and R(1) lines of CO in Ar baths: experimental broadening, shifting and mixing parameters in a wide pressure range versus ab initio calculations
Authors: Tretyakov M. Yu. , Serov E. A. , Makarov D. S. , Vilkov I. N. , Golubiatnikov G. Yu. , Galanina T. A. , Koshelev M. A. , Balashov A. A. , Simonova A. A. , Thibault F.
Published: December 2022

The results of a rigorous study of the two first pure rotational transitions of CO perturbed by Ar are presented.
Non-nucleophilic electrolyte with non-fluorinated hybrid solvents for long-life magnesium metal batteries
Authors: Sun Yue , Wang Yuhang , Jiang Liwei , Dong Dejian , Wang Wanwan , Fan Jun , Lu Yi-Chun
Published: December 2022

Non-nucleophilic and non-fluorinated compounds are the most important class of solvents to enable sustainable rechargeable magnesium batteries but suffer from poor stability due to the formation of an unstable solid–electrolyte-interphase.
Development of a novel direct magnetic sorbent sampling device by flame furnace atomic absorption spectrometry (DMSS-FF-AAS) using a carbonaceous nanocomposite for highly sensitive determination of cadmium
Authors: dos Santos Paula Mantovani , Ranucci Carneiro Ana Carla , Costa Lucimara Mendonça , Ferreira Odair Pastor , Júnior Francisco Holanda Soares , Soares João Maria , Vieira Lais Helena Sousa , Figueiredo Eduardo Costa de , Corazza Marcela Zanetti , Tarley César Ricardo Teixeira
Published: December 2022

A novel and highly sensitive method for cadmium determination combining dispersive magnetic solid phase extraction (DMSPE), direct magnetic sorbent sampling (DMSS), and flame furnace atomic absorption spectrometry (FF-AAS) is described in this work.
Tuning the arrangement of lamellar nanostructures: achieving the dual function of physically killing bacteria and promoting osteogenesis
Authors: Mo Shi , Tang Kaiwei , Liao Qing , Xie Lingxia , Wu Yuzheng , Wang Guomin , Ruan Qingdong , Gao Ang , Lv Yuanliang , Cai Kaiyong , Tong Liping , Wu Zhengwei , Chu Paul K , Wang Huaiyu
Published: December 2022

Tuning the arrangement of lamellar nanostructures can balance microbicidal activity and osteogenesis for implantable biomaterials.
Construction of a scalable DNA computing nano-system for large-scale and complex logical operations
Authors: Zhou Chunyang , Song Yiwei , Jin Xiuyan , Li Bei , Pang Chunying
Published: December 2022

This work successfully realizes the calculation of both the square root and cube root of consecutive integers within a decimal number of “10”, and in each result of the operation, two digits after the decimal point are preserved ().
Bimetallic alloy Ag@Au nanorings with hollow dual-rims focus near-field on circular intra-nanogaps
Authors: Lee Sungwoo , Jung Insub , Lee Soohyun , Lee Jaewon , Oh Myeong Jin , Park Minsun , Haddadnezhad MohammadNavid , Park Woocheol , Park Sungho
Published: December 2022

Here, we report a highly sensitive and reliable surface enhanced Raman scattering (SERS)-based immunoassay using bimetallic alloy Ag@Au hollow dual-rim nanorings (DRNs) where circular intra-nanogaps strongly collect an electromagnetic near-field.
A highly sensitive and ecofriendly assay platform for the simultaneous electrochemical determination of rifampicin and isoniazid in human serum and pharmaceutical formulations
Authors: Sharafi Effat , Sadeghi Susan
Published: December 2022

Simple fabrication of an electrochemical sensor for simultaneous determination of rifampicin and isoniazid based on electrochemical modification of SPCE surface with reduced graphene oxide and nickel hydroxide film (Ni(OH)2/rGO/SPCE) without using toxic chemical agents.
Electronic properties and supramolecular study of selenoureas with fluorinated-NHC ligands derived from imidazo[1,5-a]pyridines
Authors: Turcio-García Luis Ángel , Valdés Hugo , Arenaza-Corona Antonino , Hernández-Ortega Simón , Morales-Morales David
Published: December 2022

Twelve selenourea having fluorinated fragments were synthesized and fully characterized and their fluorine content influence studied by77Se NMR.
Tetrazine bioorthogonal chemistry makes nanotechnology a powerful toolbox for biological applications
Authors: Zhang Renshuai , Gao Jiake , Zhao Gaoxiang , Zhou Liman , Kong Fandong , Jiang Tao , Jiang Hongfei
Published: December 2022

The incorporation of tetrazine bioorthogonal chemistry with nanoparticles has greatly expanded the biological applications of nanotechnologies.
Low-temperature lithium-ion batteries: challenges and progress of surface/interface modifications for advanced performance
Authors: Mei Pan , Zhang Yuan , Zhang Wei
Published: December 2022

This minireview summarizes the progress in the rational design of surface/interface modifications for low-temperature lithium-ion batteries.