bluuebunny/crossref_metadata_2025 huggingface dataset:
Irregular distribution of grid cell firing fields in rats exploring a 3D volumetric space
Authors: Grieves Roddy M. , Jedidi-Ayoub Selim , Mishchanchuk Karyna , Liu Anyi , Renaudineau Sophie , Duvelle Éléonore , Jeffery Kate J.
Published: August 2021

We investigated how entorhinal grid cells encode volumetric space. On a horizontal surface, grid cells usually produce multiple, spatially focal, approximately circular firing fields that are evenly sized and spaced to form a regular, close-packed, hexagonal array. This spatial regularity has been suggested to underlie navigational computations. In three dimensions, theoretically the equivalent firing pattern would be a regular, hexagonal close packing of evenly sized spherical fields. In the present study, we report that, in rats foraging in a cubic lattice, grid cells maintained normal temporal firing characteristics and produced spatially stable firing fields. However, although most grid fields were ellipsoid, they were sparser, larger, more variably sized and irregularly arranged, even when only fields abutting the lower surface (equivalent to the floor) were considered. Thus, grid self-organization is shaped by the environment’s structure and/or movement affordances, and grids may not need to be regular to support spatial computations.
tDCS randomized controlled trials in no-structural diseases: a quantitative review
Authors: Gianni Eugenia , Bertoli Massimo , Simonelli Ilaria , Paulon Luca , Tecchio Franca , Pasqualetti Patrizio
Published: August 2021

The increasing number and quality of randomized controlled trials (RCTs) employing transcranial direct current stimulation (tDCS) denote the rising awareness of neuroscientific community about its electroceutical potential and opening to include these treatments in the framework of medical therapies under the indications of the international authorities. The purpose of this quantitative review is to estimate the recommendation strength applying the Grading of Recommendations, Assessment, Development and Evaluations (GRADE) criteria and PICO (population, intervention, comparison, outcome) model values for effective tDCS treatments on no-structural diseases, and to provide an estimate of Sham effect for future RCTs. Applying GRADE evaluation pathway, we searched in literature the tDCS-based RCTs in psychophysical diseases displaying a major involvement of brain electrical activity imbalances. Three independent authors agreed on Class 1 RCTs (18 studies) and meta-analyses were carried out using a random-effects model for pathologies sub-selected based on PICO and systemic involvement criteria. The meta-analysis integrated with extensive evidence of negligible side effects and low-cost, easy-to-use procedures, indicated that tDCS treatments for depression and fatigue in Multiple Sclerosis ranked between moderately and highly recommendable. For these interventions we reported the PICO variables, with left vs. right dorsolateral prefrontal target for 30 min/10 days against depression and bilateral somatosensory vs occipital target for 15 min/5 days against MS fatigue. An across-diseases meta-analysis devoted to the Sham effect provided references for power analysis in future tDCS RCTs on these clinical conditions. High-quality indications support tDCS as a promising tool to build electroceutical treatments against diseases involving neurodynamics alterations.
k-core genes underpin structural features of breast cancer
Authors: Dorantes-Gilardi Rodrigo , García-Cortés Diana , Hernández-Lemus Enrique , Espinal-Enríquez Jesús
Published: August 2021

Gene co-expression networks (GCNs) have been developed as relevant analytical tools for the study of the gene expression patterns behind complex phenotypes. Determining the association between structure and function in GCNs is a current challenge in biomedical research. Several structural differences between GCNs of breast cancer and healthy phenotypes have been reported. In a previous study, using co-expression multilayer networks, we have shown that there are abrupt differences in the connectivity patterns of the GCN of basal-like breast cancer between top co-expressed gene-pairs and the remaining gene-pairs. Here, we compared the top-100,000 interactions networks for the four breast cancer phenotypes (Luminal-A, Luminal-B, Her2+ and Basal), in terms of structural properties. For this purpose, we used the graph-theoretical k-core of a network (maximal sub-network with nodes of degree at least k). We developed a comprehensive analysis of the network k-core ($$k=30$$

k
=
30

) structures in cancer, and its relationship with biological functions. We found that in the Top-100,000-edges networks, the majority of interactions in breast cancer networks are intra-chromosome, meanwhile inter-chromosome interactions serve as connecting bridges between clusters. Moreover, core genes in the healthy network are strongly associated with processes such as metabolism and cell cycle. In breast cancer, only the core of Luminal A is related to those processes, and genes in its core are over-expressed. The intersection of the core nodes in all subtypes of cancer is composed only by genes in the chr8q24.3 region. This region has been observed to be highly amplified in several cancers before, and its appearance in the intersection of the four breast cancer k-cores, may suggest that local co-expression is a conserved phenomenon in cancer. Considering the many intricacies associated with these phenomena and the vast amount of research in epigenomic regulation which is currently undergoing, there is a need for further research on the epigenomic effects on the structure and function of gene co-expression networks in cancer.
Circulating tumor DNA sequencing in colorectal cancer patients treated with first-line chemotherapy with anti-EGFR
Authors: Lim Yoojoo , Kim Sheehyun , Kang Jun-Kyu , Kim Hwang-Phill , Jang Hoon , Han Hyojun , Kim Hyoki , Kim Min Jung , Lee Kyung-Hun , Ryoo Seung-Bum , Park Ji Won , Jeong Seung-Yong , Park Kyu Joo , Kang Gyeong Hoon , Han Sae-Won , Kim Tae-You
Published: August 2021

Circulating tumor DNA (ctDNA) may reveal dynamic tumor status during therapy. We conducted serial ctDNA analysis to investigate potential association with clinical outcome in metastatic colorectal cancer (mCRC) patients receiving chemotherapy. Tissue KRAS/NRAS wild-type mCRC patients were enrolled and treated with first-line cetuximab-containing chemotherapy. ctDNA isolated from plasma were analyzed by next generation sequencing (NGS) with 16 targeted gene panel. Among 93 patients, 84 (90.3%) had at least 1 somatic mutation in baseline ctDNA samples (average 2.74). Five patients with KRAS or NRAS hotspot mutation in the ctDNA showed significantly worse progression-free survival (PFS) (p = 0.029). Changes in average variant allele frequency (VAF) in ctDNA showed significant correlation with tumor size change at the time of first response evaluation (p = 0.020) and progressive disease (PD) (p = 0.042). Patients whose average VAF decreased below cutoff (< 1%) at the first evaluation showed significantly better PFS (p < 0.001), and the average VAF change further discriminated the PFS in the patients in partial response (p = 0.018). At the time of PD, 54 new mutations including KRAS and MAP2K1 emerged in ctDNA. ctDNA sequencing can provide mutation profile that could better reflect tumor mutation status and predict treatment outcome.
The switch of DNA states filtering the extrinsic noise in the system of frequency modulation
Authors: Lo Shih-Chiang , You Chao-Xuan , Chen Bo-Ren , Hsieh Ching-Chu , Li Cheng-En , Shu Che-Chi
Published: August 2021

There is a special node, which the large noise of the upstream element may not always lead to a broad distribution of downstream elements. This node is DNA, with upstream element TF and downstream elements mRNA and proteins. By applying the stochastic simulation algorithm (SSA) on gene circuits inspired by the fim operon in Escherichia coli, we found that cells exchanged the distribution of the upstream transcription factor (TF) for the transitional frequency of DNA. Then cells do an inverse transform, which exchanges the transitional frequency of DNA for the distribution of downstream products. Due to this special feature, DNA in the system of frequency modulation is able to reset the noise. By probability generating function, we know the ranges of parameter values that grant such an interesting phenomenon.
A bagging dynamic deep learning network for diagnosing COVID-19
Authors: Zhang Zhijun , Chen Bozhao , Sun Jiansheng , Luo Yamei
Published: August 2021

COVID-19 is a serious ongoing worldwide pandemic. Using X-ray chest radiography images for automatically diagnosing COVID-19 is an effective and convenient means of providing diagnostic assistance to clinicians in practice. This paper proposes a bagging dynamic deep learning network (B-DDLN) for diagnosing COVID-19 by intelligently recognizing its symptoms in X-ray chest radiography images. After a series of preprocessing steps for images, we pre-train convolution blocks as a feature extractor. For the extracted features, a bagging dynamic learning network classifier is trained based on neural dynamic learning algorithm and bagging algorithm. B-DDLN connects the feature extractor and bagging classifier in series. Experimental results verify that the proposed B-DDLN achieves 98.8889% testing accuracy, which shows the best diagnosis performance among the existing state-of-the-art methods on the open image set. It also provides evidence for further detection and treatment.
Associations between ultrasound measurements and hematochemical parameters for the assessment of liver metabolic status in Holstein–Friesian cows
Authors: Giannuzzi Diana , Tessari Rossella , Pegolo Sara , Fiore Enrico , Gianesella Matteo , Trevisi Erminio , Ajmone Marsan Paolo , Premi Michele , Piccioli-Cappelli Fiorenzo , Tagliapietra Franco , Gallo Luigi , Schiavon Stefano , Bittante Giovanni , Cecchinato Alessio
Published: August 2021

Metabolic disorders, including hepatic lipidosis and ketosis, severely affect animal health status and welfare with a large economic burden in dairy herds. The gold standard for diagnosing hepatic lipidosis is the liver biopsy, which is impractical and invasive for the screening at farm level. Ultrasound (US) imaging is a promising technique for identifying liver dysfunction, but standardized specifications in physiological conditions are needed. Herein, we described the features of four US measurements, namely the liver predicted triacylglycerol (pTAG) content, liver depth (LD), and portal vein area (PVA) and depth (PVD) and we investigated their associations with a set of hematochemical (HC) indicators in 342 clinically healthy Holstein Friesian dairy cows. Liver pTAG content was negatively associated with hematocrit and positively with globulin, whereas PVA was negatively associated with thiol group levels, and LD positively with ceruloplasmin. We found significant interactions between some HC parameters and parity: in particular, creatinine, thiol groups and globulin for PVA, and aspartate aminotransferase, paraoxonase and ceruloplasmin for PVD. This study offers new insights on variations in liver function occurring after calving and pave the way for the potential use of minimally invasive techniques for prompt detection of metabolic disorders in dairy herds.
Deep learning-based single-shot phase retrieval algorithm for surface plasmon resonance microscope based refractive index sensing application
Authors: Thadson Kitsada , Visitsattapongse Sarinporn , Pechprasarn Suejit
Published: August 2021

A deep learning algorithm for single-shot phase retrieval under a conventional microscope is proposed and investigated. The algorithm has been developed using the context aggregation network architecture; it requires a single input grayscale image to predict an output phase profile through deep learning-based pattern recognition. Surface plasmon resonance imaging has been employed as an example to demonstrate the capability of the deep learning-based method. The phase profiles of the surface plasmon resonance phenomena have been very well established and cover ranges of phase transitions from 0 to 2π rad. We demonstrate that deep learning can be developed and trained using simulated data. Experimental validation and a theoretical framework to characterize and quantify the performance of the deep learning-based phase retrieval method are reported. The proposed deep learning-based phase retrieval performance was verified through the shot noise model and Monte Carlo simulations. Refractive index sensing performance comparing the proposed deep learning algorithm and conventional surface plasmon resonance measurements are also discussed. Although the proposed phase retrieval-based algorithm cannot achieve a typical detection limit of 10–7 to 10–8 RIU for phase measurement in surface plasmon interferometer, the proposed artificial-intelligence-based approach can provide at least three times lower detection limit of 4.67 × 10–6 RIU compared to conventional intensity measurement methods of 1.73 × 10–5 RIU for the optical energy of 2500 pJ with no need for sophisticated optical interferometer instrumentation.
A novel bis(pyrazolyl)methane compound as a potential agent against Gram-positive bacteria
Authors: Seguí Pedro , Aguilera-Correa John J. , Domínguez-Jurado Elena , Sánchez-López Christian M. , Pérez-Tanoira Ramón , Ocaña Ana V. , Castro-Osma José A. , Esteban Jaime , Marcilla Antonio , Alonso-Moreno Carlos , Pérez-Martínez Francisco C. , Molina-Alarcón Milagros
Published: August 2021

This study was designed to propose alternative therapeutic compounds to fight against bacterial pathogens. Thus, a library of nitrogen-based compounds bis(triazolyl)methane (1T–7T) and bis(pyrazolyl)methane (1P–11P) was synthesised following previously reported methodologies and their antibacterial activity was tested using the collection strains of Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, and Pseudomonas aeruginosa. Moreover, the novel compound 2P was fully characterized by IR, UV–Vis and NMR spectroscopy. To evaluate antibacterial activity, minimal inhibitory concentrations (MICs), minimal bactericidal concentrations (MBCs), minimum biofilm inhibitory concentrations (MBICs), and minimum biofilm eradication concentrations (MBECs) assays were carried out at different concentrations (2–2000 µg/mL). The MTT assay and Resazurin viability assays were performed in both human liver carcinoma HepG2 and human colorectal adenocarcinoma Caco-2 cell lines at 48 h. Of all the synthesised compounds, 2P had an inhibitory effect on Gram-positive strains, especially against S. aureus. The MIC and MBC of 2P were 62.5 and 2000 µg/mL against S. aureus, and 250 and 2000 µg/mL against E. faecalis, respectively. However, these values were > 2000 µg/mL against E. coli and P. aeruginosa. In addition, the MBICs and MBECs of 2P against S. aureus were 125 and > 2000 µg/mL, respectively, whereas these values were > 2000 µg/mL against E. faecalis, E. coli, and P. aeruginosa. On the other hand, concentrations up to 250 µg/mL of 2P were non-toxic doses for eukaryotic cell cultures. Thus, according to the obtained results, the 2P nitrogen-based compound showed a promising anti-Gram-positive effect (especially against S. aureus) both on planktonic state and biofilm, at non-toxic concentrations.
A stokes polarimetric light microscopy view of liquid crystal droplets
Authors: Gou J. , Shen T. H. , Bao P. , Ramos Angulo J. L. , Evans S. D.
Published: August 2021

The optical characteristics of materials, such as their magnetooptical effects, birefringence, optical activities, linear and circular dichroism, are probed via the polarisation states of light transmitted through or reflected from the specimens. As such, the measurements of the polarisation states play an important role in many research disciplines. Experimentally, Stokes parameters provide a full description of the polarisation states of light. We report the implementation of a dual- photoelastic modulator based polarimeter in a light microscope, enabling the determination of Stokes parameters at each pixel. As a case study, polarimetric images of liquid crystal droplets of different internal structures are obtained, showing their distinct polarisation characteristics. We demonstrate that the prototype Stokes polarimetric microscope allows the quantitative determination of the polarisation characteristics of light at the object plane and enables the access of the information of full polarisation states as compared to a conventional cross polariser microscope. This work shows that Stokes polarimetric microscopy may find potential applications in a wide range of research fields.
Decidualized endometrial stromal cells present with altered androgen response in PCOS
Authors: Khatun Masuma , Meltsov Alvin , Lavogina Darja , Loid Marina , Kask Keiu , Arffman Riikka K. , Rossi Henna-Riikka , Lättekivi Freddy , Jääger Kersti , Krjutškov Kaarel , Rinken Ago , Salumets Andres , Piltonen Terhi T.
Published: August 2021

Hyperandrogenic women with PCOS show disrupted decidualization (DE) and placentation. Dihydrotestosterone (DHT) is reported to enhance DE in non-PCOS endometrial stromal cells (eSCCtrl); however, this has not been assessed in PCOS cells (eSCPCOS). Therefore, we studied the transcriptome profile of non-decidualized (non-DE) and DE eSCs from women with PCOS and Ctrl in response to short-term estradiol (E2) and/or progesterone (P4) exposure with/without (±) DHT. The non-DE eSCs were subjected to E2 ± DHT treatment, whereas the DE (0.5 mM 8-Br-cAMP, 96 h) eSCs were post-treated with E2 and P4 ± DHT, and RNA-sequenced. Validation was performed by immunofluorescence and immunohistochemistry. The results showed that, regardless of treatment, the PCOS and Ctrl samples clustered separately. The comparison of DE vs. non-DE eSCPCOS without DHT revealed PCOS-specific differentially expressed genes (DEGs) involved in mitochondrial function and progesterone signaling. When further adding DHT, we detected altered responses for lysophosphatidic acid (LPA), inflammation, and androgen signaling. Overall, the results highlight an underlying defect in decidualized eSCPCOS, present with or without DHT exposure, and possibly linked to the altered pregnancy outcomes. We also report novel factors which elucidate the mechanisms of endometrial dysfunction in PCOS.
Dereplication of antimicrobial biosurfactants from marine bacteria using molecular networking
Authors: Patiño Albert D. , Montoya-Giraldo Manuela , Quintero Marynes , López-Parra Lizbeth L. , Blandón Lina M. , Gómez-León Javier
Published: August 2021

Biosurfactants are amphiphilic surface-active molecules of microbial origin principally produced by hydrocarbon-degrading bacteria; in addition to the bioremediation properties, they can also present antimicrobial activity. The present study highlights the chemical characterization and the antimicrobial activities of biosurfactants produced by deep-sea marine bacteria from the generaHalomonas,Bacillus,Streptomyces, andPseudomonas. The biosurfactants were extracted and chemically characterized through Chromatography TLC, FT-IR, LC/ESI–MS/MS, and a metabolic analysis was done through molecular networking. Six biosurfactants were identified by dereplication tools from GNPS and some surfactin isoforms were identified by molecular networking. The half-maximal inhibitory concentration (IC50) of biosurfactant fromHalomonassp. INV PRT125 (7.27 mg L−1) andHalomonassp. INV PRT124 (8.92 mg L−1) were most effective against the pathogenic yeastCandida albicansATCC 10231. For Methicillin-resistantStaphylococcus aureusATCC 43300, the biosurfactant fromBacillussp. INV FIR48 was the most effective with IC50values of 25.65 mg L−1and 21.54 mg L−1forC. albicans, without hemolytic effect (< 1%), and non-ecotoxic effect in brine shrimp larvae (Artemia franciscana), with values under 150 mg L−1, being a biosurfactant promising for further study. The extreme environments as deep-sea can be an important source for the isolation of new biosurfactants-producing microorganisms with environmental and pharmaceutical use.
Low-dose rapamycin does not impair vascular integrity and tubular regeneration after kidney transplantation in rats
Authors: Hoff Uwe , Markmann Denise , Nieminen-Kelhä Melina , Budde Klemens , Hegner Björn
Published: August 2021

mTOR inhibitors offer advantages after kidney transplantation including antiviral and antitumor activity besides facilitating low calcineurin inhibitor exposure to reduce nephrotoxicity. Concerns about adverse effects due to antiproliferative and antiangiogenic properties have limited their clinical use particularly early after transplantation. Interference with vascular endothelial growth factor (VEGF)-A, important for physiologic functioning of renal endothelial cells and tubular epithelium, has been implicated in detrimental renal effects of mTOR inhibitors. Low doses of Rapamycin (loading dose 3 mg/kg bodyweight, daily doses 1.5 mg/kg bodyweight) were administered in an allogenic rat kidney transplantation model resulting in a mean through concentration of 4.30 ng/mL. Glomerular and peritubular capillaries, tubular cell proliferation, or functional recovery from preservation/reperfusion injury were not compromised in comparison to vehicle treated animals. VEGF-A, VEGF receptor 2, and the co-receptor Neuropilin-1 were upregulated by Rapamycin within 7 days. Rat proximal tubular cells (RPTC) responded in vitro to hypoxia with increased VEGF-A and VEGF-R1 expression that was not suppressed by Rapamycin at therapeutic concentrations. Rapamycin did not impair proliferation of RPTC under hypoxic conditions. Low-dose Rapamycin early posttransplant does not negatively influence the VEGF network crucial for recovery from preservation/reperfusion injury. Enhancement of VEGF signaling peritransplant holds potential to further improve outcomes.
Cleavage and activation of LIM kinase 1 as a novel mechanism for calpain 2-mediated regulation of nuclear dynamics
Authors: Rodríguez-Fernández L. , Company S. , Zaragozá R. , Viña J. R. , García-Trevijano E. R.
Published: August 2021

Calpain-2 (CAPN2) is a processing enzyme ubiquitously expressed in mammalian tissues whose pleiotropic functions depend on the role played by its cleaved-products. Nuclear interaction networks, crucial for a number of molecular processes, could be modified by CAPN2 activity. However, CAPN2 functions in cell nucleus are poorly understood. To unveil CAPN2 functions in this compartment, the result of CAPN2-mediated interactions in cell nuclei was studied in breast cancer cell (BCC) lines. CAPN2 abundance was found to be determinant for its nucleolar localization during interphase. Those CAPN2-dependent components of nucleolar proteome, including the actin-severing protein cofilin-1 (CFL1), were identified by proteomic approaches. CAPN2 binding, cleavage and activation of LIM Kinase-1 (LIMK1), followed by CFL1 phosphorylation was studied. Upon CAPN2-depletion, full-length LIMK1 levels increased and CFL1/LIMK1 binding was inhibited. In addition, LIMK1 accumulated at the cell periphery and perinucleolar region and, the mitosis-specific increase of CFL1 phosphorylation and localization was altered, leading to aberrant mitosis and cell multinucleation. These findings uncover a mechanism for the role of CAPN2 during mitosis, unveil the critical role of CAPN2 in the interactions among nuclear components and, identifying LIMK1 as a new CAPN2-target, provide a novel mechanism for LIMK1 activation. CFL1 is crucial for cytoskeleton remodeling and mitosis, but also for the maintenance of nuclear structure, the movement of chromosomes and the modulation of transcription frequently altered in cancer cells. Consequently, the role of CAPN2 in the nuclear compartment might be extended to other actin-associated biological and pathological processes.
Pyk2 in dorsal hippocampus plays a selective role in spatial memory and synaptic plasticity
Authors: Mastrolia Vincenzo , al Massadi Omar , de Pins Benoit , Girault Jean-Antoine
Published: August 2021

Pyk2 is a Ca2+-activated non-receptor tyrosine kinase enriched in the forebrain, especially in pyramidal neurons of the hippocampus. Previous reports suggested its role in hippocampal synaptic plasticity and spatial memory but with contradictory findings possibly due to experimental conditions. Here we address this issue and show that novel object location, a simple test of spatial memory induced by a single training session, is altered in Pyk2 KO mice and that re-expression of Pyk2 in the dorsal hippocampus corrects this deficit. Bilateral targeted deletion of Pyk2 in dorsal hippocampus CA1 region also alters novel object location. Long term potentiation (LTP) in CA1 is impaired in Pyk2 KO mice using a high frequency stimulation induction protocol but not with a theta burst protocol, explaining differences between previous reports. The same selective LTP alteration is observed in mice with Pyk2 deletion in dorsal hippocampus CA1 region. Thus, our results establish the role of Pyk2 in specific aspects of spatial memory and synaptic plasticity and show the dependence of the phenotype on the type of experiments used to reveal it. In combination with other studies, we provide evidence for a selective role of non-receptor tyrosine kinases in specific aspects of hippocampal neurons synaptic plasticity.
Delta band activity contributes to the identification of command following in disorder of consciousness
Authors: Rivera-Lillo Gonzalo , Stamatakis Emmanuel A. , Bekinschtein Tristan A. , Menon David K. , Chennu Srivas
Published: August 2021

The overt or covert ability to follow commands in patients with disorders of consciousness is considered a sign of awareness and has recently been defined as cortically mediated behaviour. Despite its clinical relevance, the brain signatures of the perceptual processing supporting command following have been elusive. This multimodal study investigates the temporal spectral pattern of electrical brain activity to identify features that differentiated healthy controls from patients both able and unable to follow commands. We combined evidence from behavioural assessment, functional neuroimaging during mental imagery and high-density electroencephalography collected during auditory prediction, from 21 patients and 10 controls. We used a penalised regression model to identify command following using features from electroencephalography. We identified seven well-defined spatiotemporal signatures in the delta, theta and alpha bands that together contribute to identify DoC subjects with and without the ability to follow command, and further distinguished these groups of patients from controls. A fine-grained analysis of these seven signatures enabled us to determine that increased delta modulation at the frontal sensors was the main feature in command following patients. In contrast, higher frequency theta and alpha modulations differentiated controls from both groups of patients. Our findings highlight a key role of spatiotemporally specific delta modulation in supporting cortically mediated behaviour including the ability to follow command. However, patients able to follow commands nevertheless have marked differences in brain activity in comparison with healthy volunteers.
Tumor size may influence the prognosis of solitary hepatocellular carcinoma patients with cirrhosis and without macrovascular invasion after hepatectomy
Authors: Liang Bin-yong , Gu Jin , Xiong Min , Zhang Er-lei , Zhang Zun-yi , Chen Xiao-ping , Huang Zhi-yong
Published: August 2021

Hepatocellular carcinoma (HCC) is usually associated with varying degrees of cirrhosis. Among cirrhotic patients with solitary HCC in the absence of macro-vascular invasion, whether tumor size drives prognosis or not after hepatectomy remains unknown. This study aimed to investigate the prognostic impact of tumor size on long-term outcomes after hepatectomy for solitary HCC patients with cirrhosis and without macrovascular invasion. A total of 813 cirrhotic patients who underwent curative hepatectomy for solitary HCC and without macrovascular invasion between 2001 and 2014 were retrospectively studied. We set 5 cm as the tumor cut-off value. Propensity score matching (PSM) was performed to minimize the influence of potential confounders including cirrhotic severity that was histologically assessed according to the Laennec staging system. Recurrence-free survival (RFS) and overall survival (OS) were compared between the two groups before and after PSM. Overall, 464 patients had tumor size ≤ 5 cm, and 349 had tumor size > 5 cm. The 5-year RFS and OS rates were 38.3% and 61.5% in the  ≤ 5 cm group, compared with 25.1% and 59.9% in the > 5 cm group. Long-term survival outcomes were significantly worse as tumor size increased. Multivariate analysis indicated that tumor size > 5 cm was an independent risk factor for tumor recurrence and long-term survival. These results were further confirmed in the PSM cohort of 235 pairs of patients. In cirrhotic patients with solitary HCC and without macrovascular invasion, tumor size may significantly affect the prognosis after curative hepatectomy.
Impact of the COVID-19 pandemic on sexual and reproductive health among women with induced abortion
Authors: Tu Pengcheng , Li Jianan , Jiang Xiaomei , Pei Kaiyan , Gu Yiqun
Published: August 2021

The coronavirus disease (COVID-19) has already been declared a global pandemic. To our knowledge, there is very little information regarding the effects of COVID-19 on women seeking reproductive health services, specifically abortion. This study was aimed to assess the impact of the COVID-19 pandemic on reproductive and sexual health among women seeking abortion services. We conducted a series of preliminary analyses using data collected from ten maternal and child health hospitals of seven provinces in China before and during the COVID-19 lockdown. The present study showed that a significant decrease was observed in the frequency of sexual intercourse during the COVID-19 pandemic. Moreover, a significant increase in contraceptive use including condom, rhythm method and coitus interruptus whereas a decrease in choosing oral contraceptives were observed during the COVID-19 pandemic. In addition, the pandemic was associated with increased intention of seeking induced abortion due to social factors. Future research should look into the long-term impact of the COVID-19 pandemic on sexual and reproductive health.
Effect of health systems context on infant and child mortality in sub-Saharan Africa from 1995 to 2015, a longitudinal cohort analysis
Authors: Simmons Ryan A. , Anthopolos Rebecca , O’Meara Wendy Prudhomme
Published: August 2021

Each year, > 3 million children die in sub-Saharan Africa before their fifth birthday. Most deaths are preventable or avoidable through interventions delivered in the primary healthcare system. However, evidence regarding the impact of health system characteristics on child survival is sparse. We assembled a retrospective cohort of > 250,000 children in seven countries in sub-Saharan Africa. We described their health service context at the subnational level using standardized surveys and employed parametric survival models to estimate the effect of three major domains of health services—quality, access, and cost—on infant and child survival, after adjusting for child, maternal, and household characteristics. Between 1995 and 2015 we observed 13,629 deaths in infants and 5149 in children. In fully-adjusted models, the largest effect sizes were related to fees for services. Immunization fees were correlated with poor child survival (HR = 1.20, 95% CI 1.12–1.28) while delivery fees were correlated with poor infant survival (HR = 1.11, 95% CI 1.01–1.21). Accessibility of facilities and greater concentrations of private facilities were associated with improved infant and child survival. The proportion of facilities with a doctor was correlated with increased risk of death in children and infants. We quantify the impact of health service environment on survival up to five years of age. Reducing health care costs and improving the accessibility of health facilities should remain a priority for improving infant and child survival. In the absence of these fundamental investments, more specialized interventions may not achieve their desired impact.
Listeria monocytogenes-infected human monocytic derived dendritic cells activate Vγ9Vδ2 T cells independently of HMBPP production
Authors: Alice Alejandro F. , Kramer Gwen , Bambina Shelly , Bahjat Keith S. , Gough Michael J. , Crittenden Marka R.
Published: August 2021

Gamma-delta (γδ) T cells express T cell receptors (TCR) that are preconfigured to recognize signs of pathogen infection. In primates, γδ T cells expressing the Vγ9Vδ2 TCR innately recognize (E)-4-hydroxy-3-methyl-but- 2-enyl pyrophosphate (HMBPP), a product of the 2-C-methyl-D-erythritol 4- phosphate (MEP) pathway in bacteria that is presented in infected cells via interaction with members of the B7 family of costimulatory molecules butyrophilin (BTN) 3A1 and BTN2A1. In humans, Listeria monocytogenes (Lm) vaccine platforms have the potential to generate potent Vγ9Vδ2 T cell recognition. To evaluate the activation of Vγ9Vδ2 T cells by Lm-infected human monocyte-derived dendritic cells (Mo-DC) we engineered Lm strains that lack components of the MEP pathway. Direct infection of Mo-DC with these bacteria were unchanged in their ability to activate CD107a expression in Vγ9Vδ2 T cells despite an inability to synthesize HMBPP. Importantly, functional BTN3A1 was essential for this activation. Unexpectedly, we found that cytoplasmic entry of Lm into human dendritic cells resulted in upregulation of cholesterol metabolism in these cells, and the effect of pathway regulatory drugs suggest this occurs via increased synthesis of the alternative endogenous Vγ9Vδ2 ligand isoprenyl pyrophosphate (IPP) and/or its isomer dimethylallyl pyrophosphate (DMAPP). Thus, following direct infection, host pathways regulated by cytoplasmic entry of Lm can trigger Vγ9Vδ2 T cell recognition of infected cells without production of the unique bacterial ligand HMBPP.
Texture and bio-functional characteristics of a Chinese steamed bread prepared from lotus root powder partially replacing wheat flour
Authors: Li Xiaoyue , Guo Yuqiu , Chen Lirong , Liu Kaichang , Gong Kuijie
Published: August 2021

Making low GI of the Chinese steamed bread (CSB) with acceptable eating quality is a challenge. A CSB prepared from wheat flour partially substituted by lotus root powder (LRP) showed good prospects. RVA profile and texture profile were determined to evaluate the texture, while animal test were used to confirm the bio-functional attributes. The addition of LRP effectively changed the RVA profile of lotus-wheat incorporated flour (LWIF). CSB prepared from 30% LWIF showed acceptable eating quality with higher springiness, cohesiveness, and recovery while lower hardness. After 12 weeks of 30% LWIF administrating, the fast blood glucose of diabetic rat decreased from 17.6 to 5.8 mmol/L together with the reduction of serum TC, TG and LDL-C. The hepatic histopathological examination and serum levels changes of SOD, CAT and FFA confirmed LWIF could effectively protect the liver of the diabetic rats from damage caused by oxidative stress.
First-passage times in protein folding: exploring the native-like states vs. overcoming the free energy barrier
Authors: Chekmarev Sergei F.
Published: August 2021

All first-passage time distributions are essentially single-exponential. The first-passage time to reach the native state may be determined by the time to find the native state among native-like ones.
New β-diketone-boron difluoride based near-infrared fluorescent probes for polarity detection
Authors: Ma Qingqing , Zhang Yunxiao , Jiao Yawen , Zhang Tian , Chu Qingyan , Xiao Haibin , Zhou Ziyan , Liu Yuying
Published: August 2021

We have developed two fluorescent probes with solvatochromic properties.
Effective assay of bacterial transglycosylation by molecular turn-on sensing and a second-order scattering effect
Authors: Hsu Tse-Wei , Fang Jim-Min
Published: August 2021

The released undecaprenyl pyrophosphate (UPP) product in bacterial transglycosylation is quantitatively measured using a terpyridine–zinc fluorescence turn-on sensor or by the second-order scattering effect of the in situ formed UPP–calcium complex.
Micro-Raman spectroscopy of lipid halo and dense-core amyloid plaques: aging process characterization in the Alzheimer's disease APPswePS1ΔE9 mouse model
Authors: Fonseca Emerson A. , Lafeta Lucas , Luiz Campos João , Cunha Renan , Barbosa Alexandre , Romano-Silva Marco A. , Vieira Rafael , Malard Leandro M. , Jorio Ado
Published: August 2021

Hyperspectral Raman imaging of amyloid plaques and lipid halo in the brains of mice were able to differentiate control, young and aged Alzheimer's disease transgenic mouse models.
Photoelectrochemical analysis of the alkaline phosphatase activity in single living cells
Authors: Wang Nina , Pan Rongrong , Ji Lina , Jiang Dechen , Chen Hong-Yuan
Published: August 2021

CdS quantum dot (QD) modified nanopipette was prepared for the PEC analysis of the alkaline phosphatase (ALP) activity in single MCF-7 cells.
Deoxyribonucleic acid anchored on cell membranes for biomedical application
Authors: He Qunye , Liu Yanfei , Li Ke , Wu Yuwei , Wang Ting , Tan Yifu , Jiang Ting , Liu Xiaoqin , Liu Zhenbao
Published: August 2021

This review provides an overview of engineering cellular membranes with deoxyribonucleic acids to manipulate cellular behaviors and functionalities for biomedical applications. The current challenges and future directions are summarized and proposed.
Self-assembly of chiral BINOL cages via imine condensation
Authors: Ramakrishna E. , Tang Jia-Dong , Tao Jia-Ju , Fang Qiang , Zhang Zibin , Huang Jianying , Li Shijun
Published: August 2021

Chiral [2+3] imine cages were constructed via imine condensation from an enantiomeric pair of BINOL-derived dialdehydes and tris(2-aminoethyl)amine and applied in the enantioselective recognition of (1R,2R)- and (1S,2S)-1,2-diaminocyclohexane.
Theoretically derived thermodynamic properties can be improved by the refinement of low-frequency modes against X-ray diffraction data
Authors: Hoser Anna A. , Sztylko Marcin , Trzybiński Damian , Madsen Anders Ø.
Published: August 2021

Herein, a framework for the estimation of the thermodynamic properties of molecular crystals via the refinement of frequencies from density functional theory calculations against X-ray diffraction data is presented.
Nickel-catalyzed reductive monofluoroakylation of alkyl tosylate with bromofluoromethane to primary alkyl fluoride
Authors: Cui Ru , Sheng Jie , Wu Bing-Bing , Hu Duo-Duo , Zheng Hong-Qian , Wang Xi-Sheng
Published: August 2021

A nickel-catalyzed monofluoromethylation of primary alkyl sulfonic ester with the industrial raw material BrCH2F through reductive cross-coupling has been developed.
Metal-free enaminone C–N bond cyanation for the stereoselective synthesis of (E)- and (Z)-β-cyano enones
Authors: Liu Ting , Wan Jie-Ping , Liu Yunyun
Published: August 2021

The C–N bond cyanation of tertiary enaminones has been realized for the stereoselective synthesis of both (E)- and (Z)-β-cyano enones under mild metal-free conditions, providing highly practical approaches for the synthesis of β-cyano enones.
Self-assembly and luminescence of trinuclear lanthanide based supramolecular circular helicates
Authors: Chang Fei-fan , Feng Fan-da , Geng Jiao , Huang Wei
Published: August 2021

A series of trinuclear lanthanide circular helicates [Ln3L3]Cl3 have been synthesized via supramolecular subcomponent self-assembly.
Ligand switchable site selectivity in C–H alkenylation of thiophenes by turnover-limiting step control
Authors: Evans Rebecca , Sampson Jessica , Wang Long , Lückemeier Lukas , Carrow Brad P.
Published: August 2021

Switchable site selectivity during Pd-catalysed C–H alkenylation of heteroarenes has been linked to a change from selectivity-determining C–H cleavage to C–C formation, respectively, upon substitution of ionic thioether for pyridine dative ligands.
A photosensitizer with conformational restriction for enhanced photodynamic therapy
Authors: Huang Haiqiao , Long Saran , Huang Daipeng , Du Jianjun , Fan Jiangli , Peng Xiaojun
Published: August 2021

In this manuscript, we provided a novel heavy-atom-free photosensitizer design strategy by conformational restriction of the hemicyanine, which enhanced reactive oxygen species generation for efficient photodynamic therapy.
Photocatalytic cross-couplings via the cleavage of N–O bonds
Authors: Zhu Xianjin , Fu Hua
Published: August 2021

This feature article summarises the recent progress in the visible light photoredox organic reactions of N-(acyloxy)phthalimide and oxime derivatives via the cleavage of N–O bonds.
Catalytic role of amines in activation of PhICl2 from a computational point of view
Authors: Farshadfar Kaveh , Ariafard Alireza
Published: August 2021

We thoroughly investigated mechanistic features of dichlorination of diazoacetates using PhICl2 catalysed by pyridine.
Imidazole substituted Zinc(ii) phthalocyanines for co-catalyst-free photoelectrochemical and photocatalytic hydrogen evolution: influence of the anchoring group
Authors: Yüzer A. Celil , Genc Eminegül , Kurtay Gülbin , Yanalak Gizem , Aslan Emre , Harputlu Ersan , Ocakoglu Kasim , Hatay Patir Imren , Ince Mine
Published: August 2021

Novel ZnPc derivative bearing adequately functionalized imidazole moiety as anchoring group has been designed and used as a sensitizer for co-catalyst free photocatalytic and photoelectrochemical H2 evolution, for the first time.
Iron-catalysed radical cyclization to synthesize germanium-substituted indolo[2,1-a]isoquinolin-6(5H)-ones and indolin-2-ones
Authors: Luo Yani , Tian Tian , Nishihara Yasushi , Lv Leiyang , Li Zhiping
Published: August 2021

A simple and efficient iron-catalysed radical cyclization to synthesize germanium-substituted indolo[2,1-a]isoquinolin-6(5H)-ones and indolin-2-ones has been developed.
Computational simulations on the binding and reactivity of a nitrile inhibitor of the SARS-CoV-2 main protease
Authors: Ramos-Guzmán Carlos A. , Ruiz-Pernía J. Javier , Tuñón Iñaki
Published: August 2021

Computational simulations unveil the inhibition mechanism of the SARS-CoV-2 main protease by a novel oral nitrile-containing inhibitor, PF-07321332.
The photoredox-catalyzed hydrosulfamoylation of styrenes and its application in the novel synthesis of naratriptan
Authors: Zhang Mingjun , Chen Miaomiao , Ding Xin , Kang Jin , Gao Yongyue , He Xingxing , Wang Ziwen , Lu Aidang , Wang Qingmin
Published: August 2021

The use of sulfamoyl chlorides as precursors of sulfamoyl radicals has enabled the efficient hydrosulfamoylation of diverse styrenes and has provided a convenient approach for the synthesis of naratriptan.
Influences of nano-effect on the thermodynamic properties of solid–liquid interfaces: theoretical and experimental researches
Authors: Duan Huijuan , Cheng Zuohui , Xue Yongqiang , Zhao Jinzhong , Yang Meihong , Cui Zixiang , Gao Wenmei , Wang Shiyao
Published: August 2021

Nano-effect has a significant influence on the interfacial properties of nanoparticles. Whenr< 10 nm, the relationships between the interfacial thermodynamic properties and the reciprocal of radius deviate from linear behavior.
Steered molecular dynamics and stability analysis on PAH dimerisation and condensation on fullerene and soot surfaces
Authors: Yuan Hongliang , Kong Wenjun , Xia Jun
Published: August 2021

The free energy profiles of PAH dimerisation and the condensation of PAHs on the fullerenes’ surface were obtained by steered molecular dynamics. Our results can provide a data support to improve the PAH based soot nucleation and condensation model.
Microscale pH inhomogeneity in frozen NaCl solutions
Authors: Kataoka Shun , Harada Makoto , Okada Tetsuo
Published: August 2021

Higher pH values are confirmed at the ice interface in frozen aqueous NaCl.
Theoretical insights on boron reducing agent for the reduction of carbonyl compounds
Authors: Ma Nana , Xu Qingli , Zhang Guisheng
Published: August 2021

We present the computational progress on boron reducing agents affecting the catalytic reductions of carbonyl compounds and discuss their future opportunities.
The Dirac half-semimetal and quantum anomalous Hall effect in two-dimensional Janus Mn2X3Y3 (X, Y = F, Cl, Br, I)
Authors: Li Ping , Guo Zhi-Xin
Published: August 2021

Based on first-principles density functional theory, we predict that the Janus Mn2X3Y3 (X, Y) = F, Cl, Br, I are high Curie temperature quantum anomalous Hall insulators.
Universal features in the lifetime distribution of clusters in hydrogen-bonding liquids
Authors: Jukić Ivo , Požar Martina , Lovrinčević Bernarda , Perera Aurélien
Published: August 2021

Illustration summarizing the correspondence between the hydrogen lifetime L(t) curves for different rc values taken along the gOO(r) curve. The water molecule dimer-based clusters illustrate that the correspondence between the first neighbour lifetimes and larger cluster lifetimes as rc is varied.
Understanding the close encounter of heme proteins with carboxylated multiwalled carbon nanotubes: a case study of contradictory stability trend for hemoglobin and myoglobin
Authors: Kumar Sumit , Kumar Krishan , Yadav Ritu , Kukutla Prasanna , Devunuri Nagaraju , Deenadayalu Nirmala , Venkatesu Pannuru
Published: August 2021

Carbon nanotubes (CNTs) are one of the unique and promising nanomaterials that possess plenty of applications, such as biosensors, advanced drug delivery systems and biotechnology.
Adsorption and reaction mechanisms of single and double H2O molecules on graphene surfaces with defects: a density functional theory study
Authors: Liang Zeng , Li Kejiang , Wang Ziming , Bu Yushan , Zhang Jianliang
Published: August 2021

Our work explores the adsorption behavior of H2O on graphene surfaces and proposes two dissociation mechanisms of double H2O at single vacancy defects.
Stereodynamic control of cold rotationally inelastic CO + HD collisions
Authors: Jambrina Pablo G. , Croft James F. E. , Balakrishnan Naduvalath , Aoiz F. Javier
Published: August 2021

Tuning the polarization of one of the reactants it is possible to modify the effect of a resonance. The influence of the polarization on the J–L partial wave is geometrical but the contribution from these partial waves is determined by dynamics.
Defect evolution behaviors from single sulfur point vacancies to line vacancies in monolayer molybdenum disulfide
Authors: Gao Chan , Yang Xiaoyong , Jiang Ming , Chen Lixin , Chen Zhiwen , Singh Chandra Veer
Published: August 2021

Defect evolution from single sulfur point vacancies to line vacancies and the effect of defect evolution on the mechanical and electronic properties in monolayer molybdenum disulfide.
Phase transition and chemical reactivity of 1H-tetrazole under high pressure up to 100 GPa
Authors: Gao Dexiang , Tang Xingyu , Wang Xuan , Yang Xin , Zhang Peijie , Che Guangwei , Han Jun , Hattori Takanori , Wang Yajie , Dong Xiao , Zheng Haiyan , Li Kuo , Mao Ho-kwang
Published: August 2021

The crystal structure of 1H-tetrazole under high pressure is redetermined with one molecule in a unit cell and its reversible polymerization with C–N bonding is demonstrated below 100 GPa by experimental and theoretical methods.
The key role of the central cavity in sodium transport through ligand-gated two-pore channels
Authors: Milenkovic Stefan , Bodrenko Igor V. , Carpaneto Armando , Ceccarelli Matteo
Published: August 2021

The central cavity of hTPC2 works as a reservoir of sodium ions and its occupation modulates the ionic current.
High-fidelity first principles nonadiabaticity: diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics
Authors: Guan Yafu , Xie Changjian , Yarkony David R. , Guo Hua
Published: August 2021

This Perspective discusses recent advances in constructing high fidelity diabatic potential energy matrices for nonadiabatic systems and the associated quantum dynamics.