bluuebunny/crossref_metadata_2025 huggingface dataset:
Increased Expressions of Programmed Death Ligand 1 and Galectin 9 in Transplant Recipients Who Achieved Tolerance After Immunosuppression Withdrawal
Authors: Hai Nam Nguyen , Taura Kojiro , Koyama Yukinori , Nishio Takahiro , Yamamoto Gen , Uemoto Yusuke , Kimura Yusuke , Xuefeng Li , Nakamura Daichi , Yoshino Kenji , Ogawa Eri , Okamoto Tatsuya , Yoshizawa Atsushi , Seo Satoru , Iwaisako Keiko , Yoh Tomoaki , Hata Koichiro , Masui Toshihiko , Okajima Hideaki , Haga Hironori , Uemoto Shinji , Hatano Etsuro
Published: October 2021

Programmed death 1 (PD1)/its ligand PD‐L1 concomitant with T cell immunoglobulin and mucin domain‐containing protein 3 (TIM‐3)/its ligand galectin 9 (Gal‐9) and the forkhead box P3 (FOXP3) might be involved in tolerance after liver transplantation (LT). Liver biopsies from 38 tolerant, 19 nontolerant (including 16 samples that triggered reintroduction of immunosuppression [IS] and 19 samples after IS reintroduction), and 38 control LT patients were studied. The expressions of PD1, PD‐L1, Gal‐9, and FOXP3 were determined by immunohistochemical and immunofluorescence (IF) staining. The success period of IS withdrawal was calculated using Kaplan‐Meier curve analysis. Tolerant and control patients exhibited higher PD‐L1, Gal‐9, and FOXP3 levels than nontolerant patients at the moment of triggering IS reintroduction. High expressions of PD‐L1 and Gal‐9 were associated with prolonged success of tolerance (83.3% versus 36.7% [P < 0.01] and 73.1% versus 42.9% [P = 0.03]). A strong correlation between PD‐L1 and Gal‐9 expression levels was detected (Spearman r = 0.73; P ≤ 0.001), and IF demonstrated colocalization of PD‐L1 and Gal‐9 in the cytoplasm of hepatocytes. In conclusion, the present study demonstrated that increased expressions of PD‐L1 and Gal‐9 were associated with sustained tolerance after IS withdrawal in pediatric liver transplantation.
Distribution of sulfate‐reducing bacteria in the crevice and its effect on the initial corrosion behavior of 2205 stainless steel in artificial seawater
Authors: Zhang Zhan , Fang Tao , Xia Jiuyang , Zhang Bowei , Wu Junsheng
Published: October 2021

In the present study, the distribution and vitality of the sulfate‐reducing bacteria (SRB) inside the crevice were characterized by scanning electron microscopy and confocal laser scanning microscopy. Potentiodynamic polarization curve tests and electrochemical impedance spectroscopy were used to evaluate the corrosion resistance. Furthermore, a starvation experiment was conducted by controlling nutrients to investigate the effects of the crevices on the transportation of nutrients and the vitality of the SRB. The results demonstrate that it was more difficult for the SRB to enter the crevice, resulting in an incomplete biofilm formed on the surface. In addition, the insufficient supply of nutrients was also the reason for the low vitality of the SRB inside the crevice. Based on these results, it was inferred that the incomplete biofilm inside the crevice acted as a micro‐galvanic, thus making the corrosion rate of 2205 stainless steel in the initial crevice corrosion much more serious than that in the open system.
RAFT‐Polymerized N‐Cyanomethylacrylamide‐Based (Co)polymers Exhibiting Tunable UCST Behavior in Water
Authors: Audureau Nicolas , Veith Clémence , Coumes Fanny , Nguyen Thi Phuong Thu , Rieger Jutta , Stoffelbach François
Published: October 2021

In this present work, the synthesis of a new family of upper critical solution temperature (UCST)‐thermoresponsive polymers based on N‐cyanomethylacrylamide (CMAm) is reported. It is demonstrated that the thermally initiated reversible addition fragmentation chain transfer (RAFT) polymerization of CMAm conducted in N,N‐dimethylformamide (DMF) is well controlled. The homopolymer presents a sharp and reversible UCST‐type phase transition in pure water with a very small hysteresis between cooling and heating cycles. It is demonstrated that the cloud point (TCP) of poly(N‐cyanomethylacrylamide) (PCMAm) is strongly molar mass dependent and shifts toward lower temperatures in saline water. Moreover, the transition temperature can be tuned over a large temperature range by copolymerization of CMAm with acrylamide or acrylic acid. The latter copolymers are both thermoresponsive and pH responsive. Interestingly, by this strategy sharp and reversible UCST‐type transitions close to physiological temperature can be reached, which makes the copolymers extremely interesting candidates for biomedical applications.
Strong Interface via Weak Interactions: Ultratough and Malleable Polylactic acid/Polyhydroxybutyrate Biocomposites
Authors: Hou Xunan , Lu Xuehong , He Chaobin
Published: October 2021

Bio‐based and biodegradable polymer composites, most notably poly(l‐lactic acid) (PLLA) and poly(3‐hydroxybutyrate) (PHB), represent a promising solution to replace conventional petroleum‐based plastics. However, the brittleness and low miscibility of PLLA and PHB remain two major obstacles to practical applications. In this work, first PLLA/PHB blends are reported by melt mixing with a rigid component, poly(methyl methacrylate) (PMMA). Driven by favorable entropy, PMMA forms an interfacial nanolayer, which transforms the morphology of resultant blends. The ternary blends show 55‐fold increase in elongation, 50‐fold in toughness, and metal‐like malleability (≈180° bending and twisting), while retaining its high stiffness (3.4 GPa) and strength (≈50 MPa). The mechanical improvement arises from numerous craze fibrils and shear deformation of the matrix, induced by the incorporated PMMA. Furthermore, this generic strategy can be applied to design other mechanically robust biocomposites for advanced green devices.
Corrigendum to “Solutions of Heun's general equation and elliptic Darboux equation” [Math Meth Appl Sci 44 (8) 7165–7206 (2021). https://doi.org/10.1002/mma.7253]
Authors: Figueiredo Bartolomeu D. B.
Published: October 2021

We correct two mathematical relations, and after this, we indicate a citerion to determine the periodicity and parity of the eigenfunctions in series of hypergeometric functions for the associated Lamé potential.
Dietary Linalool is Transferred into the Milk of Nursing Mothers
Authors: Debong Marcel W. , N'Diaye Katharina , Owsienko Diana , Schöberl Daniela , Ammar Tayyaba , Lang Roman , Buettner Andrea , Hofmann Thomas , Loos Helene M.
Published: October 2021

Scope

Breast milk is repeatedly postulated to shape the first aroma and taste impressions of infants and thus impact their flavor learning. The objective of this study is to assess the transition of aroma compounds from a customary curry dish into milk.

Methods and Results

The article prepares a standardized curry dish and administers the dish to nursing mothers (n = 18) in an intervention study. The participants donate one milk sample before and three samples after the intervention. Due to their olfactory or quantitative relevance in the curry dish, 1,8‐cineole, linalool, cuminaldehyde, cinnamaldehyde, 4‐hydroxy‐2,5‐dimethyl‐3(2H)‐furanone, sotolone, eugenol, vanillin, and γ‐nonalactone are defined as target compounds, and their transition into milk is quantified by gas chromatography‐mass spectrometry. A significant transition into the milk is observed for linalool, and its olfactory relevance in this respect is supported by calculated odor activity values. In contrast, no relevant levels are detected for the other eight target compounds.

Conclusion

Ingestion of a customary curry dish can lead to an alteration of the milk aroma, which might be perceived by the infant during breastfeeding. The current study also demonstrates that the extent of aroma transfer differs between both substances and individuals.
Food and Microbiota Metabolites Associate with Cognitive Decline in Older Subjects: A 12‐Year Prospective Study
Authors: González‐Domínguez Raúl , Castellano‐Escuder Pol , Carmona Francisco , Lefèvre‐Arbogast Sophie , Low Dorrain Y. , Du Preez Andrea , Ruigrok Silvie R. , Manach Claudine , Urpi‐Sarda Mireia , Korosi Aniko , Lucassen Paul J. , Aigner Ludwig , Pallàs Mercè , Thuret Sandrine , Samieri Cécilia , Sánchez‐Pla Alex , Andres‐Lacueva Cristina
Published: October 2021

Scope

Diet is considered an important modulator of cognitive decline and dementia, but the available evidence is, however, still fragmented and often inconsistent.

Methods and Results

The article studies the long‐term prospective Three‐City Cohort, which consists of two separate nested case‐control sample sets from different geographic regions (Bordeaux, n = 418; Dijon, n = 424). Cognitive decline is evaluated through five neuropsychological tests (Mini‐Mental State Examination, Benton Visual Retention Test, Isaac's Set Test, Trail‐Making Test part A, and Trail‐Making Test part B). The food‐related and microbiota‐derived circulating metabolome is studied in participants free of dementia at baseline, by subjecting serum samples to large‐scale quantitative metabolomics analysis. A protective association is found between metabolites derived from cocoa, coffee, mushrooms, red wine, the microbial metabolism of polyphenol‐rich foods, and cognitive decline, as well as a negative association with metabolites related to unhealthy dietary components, such as artificial sweeteners and alcohol.

Conclusion

These results provide insight into the early metabolic events that are associated with the later risk to develop cognitive decline within the crosstalk between diet, gut microbiota and the endogenous metabolism, which can help identify potential targets for preventive and therapeutic strategies to preserve cognitive health.
Three‐line microstrip directional coupler with high directivity
Authors: Kim Seong‐Jin , Lee Moon‐Que
Published: October 2021

This article proposes a novel microstrip directional coupler with high directivity. The proposed coupler was configured using three coupled transmission lines and two reflectors to cancel the leakage components in the isolation ports. To demonstrate the validity of the proposed coupler, we designed and fabricated the microstrip directional coupler with 15 dB coupling at 5.8 GHz. The measurement showed the directivity of 50.0 dB at 5.83 GHz, which was improved by 35.9 dB compared with that of conventional one.
A novel miniaturized gain‐enhanced antipodal Vivaldi antenna with back radiation reduction
Authors: Fu Yufan , Zhou Dongfang , Zhang Yi , Lv Dalong , Zhang Dewei
Published: October 2021

In this paper, a novel miniaturized planar antipodal Vivaldi antenna (AVA) with high gain and back radiation reduction for 5G millimeter‐wave (mm‐Wave) communication is presented. First, due to the use of the gradual corrugated edges (GCE), the operating band of the antenna is extended in the direction of lower frequencies and the overall gain is also improved as well. Second, its gain of the antenna is better enhanced at the high frequency band through I‐Shape Metal Director (IMD). Lastly, to further reduce the back radiation, the split ring resonance branches (SRB) are added to the ground. The antenna front‐back ratio has improved considerably to over 20 dB. Meanwhile the antenna gain is improved further. Furthermore, a prototype antenna array was fabricated and the measurement results clearly show that the antenna array gain varies in the range of 15.86–16.43 dB when operating in the 5G millimeter wave band (24.75–28.35 GHz).
Technical note: Surface imaging for real‐time patient positioning in external radiation therapy
Authors: Nazir Souha , Bert Julien , Fayad Hadi , Visvikis Dimitris
Published: October 2021

Purpose

In the last few years, there has been a growing interest in surface imaging for patient positioning in external radiation therapy. The aim of this study is to evaluate the accuracy of daily patient positioning using the Azure Kinect surface imaging.

Methods

A total of 50 fractions in 10 patients including lung, pelvic, and head and neck tumors were analyzed in real time. A rigid registration algorithm, based on the iterative closest point (ICP) approach, is employed to estimate the patient position in 6 degrees of freedom (DOF). This position is compared to the reference values obtained by the radiograph imaging. The mean setup error and its standard deviation were calculated for all measured fractions.

Results

The positioning error showed 1.1 ± 1.1 mm in lateral, 1.8 ± 2.1 mm in longitudinal, and 0.8 ± 1.1 mm in vertical, and 0.3°± 0.4° in yaw, 0.2°± 0.2° in pitch, and 0.2°± 0.2° in roll directions. The larger setup error occurred in pelvic regions.

Conclusion

We have evaluated in a radiotherapy set‐up considering different patient anatomical locations, a depth measurement based surface imaging solution for patient positioning considering the 6 DOF couch motion. We showed that the proposed solution allows an accurate patient positioning without the need for patient markings or the use of additional radiation dose.
A deep learning‐ and CT image‐based prognostic model for the prediction of survival in non‐small cell lung cancer
Authors: Chen Wen , Hou Xuewen , Hu Ying , Huang Gang , Ye Xiaodan , Nie Shengdong
Published: October 2021

Objective

To assist clinicians in arranging personalized treatment, planning follow‐up programs and extending survival times for non‐small cell lung cancer (NSCLC) patients, a method of deep learning combined with computed tomography (CT) imaging for survival prediction was designed.

Methods

Data were collected from 484 patients from four research centers. The data from 344 patients were utilized to build the A_CNN survival prognosis model to classify 2‐year overall survival time ranges (730 days cut‐off). Data from 140 patients, including independent internal and external test sets, were utilized for model testing. First, a series of preprocessing techniques were used to process the original CT images and generate training and test data sets from the axial, coronal, and sagittal planes. Second, the structure of the A_CNN model was designed based on asymmetric convolution, bottleneck blocks, the uniform cross‐entropy (UC) loss function, and other advanced techniques. After that, the A_CNN model was trained, and numerous comparative experiments were designed to obtain the best prognostic survival model. Last, the model performance was evaluated, and the predicted survival curves were analyzed.

Results

The A_CNN survival prognosis model yielded a high patient‐level accuracy of 88.8%, a patch‐level accuracy of 82.9%, and an area under the receiver operating characteristic (ROC) curve (AUC) of 0.932. When tested on an external data set, the maximum patient‐level accuracy was 80.0%.

Conclusions

The results suggest that using a deep learning method can improve prognosis in patients with NSCLC and has important application value in establishing individualized prognostic models.
Off‐resonance saturation as an MRI method to quantify mineral‐ iron in the post‐mortem brain
Authors: Bossoni Lucia , Hegeman‐Kleinn Ingrid , van Duinen Sjoerd G. , Bulk Marjolein , Vroegindeweij Lena H. P. , Langendonk Janneke G. , Hirschler Lydiane , Webb Andrew , van der Weerd Louise
Published: October 2021

Purpose

To employ an off‐resonance saturation method to measure the mineral‐iron pool in the postmortem brain, which is an endogenous contrast agent that can give information on cellular iron status.

Methods

An off‐resonance saturation acquisition protocol was implemented on a 7 Tesla preclinical scanner, and the contrast maps were fitted to an established analytical model. The method was validated by correlation and Bland‐Altman analysis on a ferritin‐containing phantom. Mineral‐iron maps were obtained from postmortem tissue of patients with neurological diseases characterized by brain iron accumulation, that is, Alzheimer disease, Huntington disease, and aceruloplasminemia, and validated with histology. Transverse relaxation rate and magnetic susceptibility values were used for comparison.

Results

In postmortem tissue, the mineral‐iron contrast colocalizes with histological iron staining in all the cases. Iron concentrations obtained via the off‐resonance saturation method are in agreement with literature.

Conclusions

Off‐resonance saturation is an effective way to detect iron in gray matter structures and partially mitigate for the presence of myelin. If a reference region with little iron is available in the tissue, the method can produce quantitative iron maps. This method is applicable in the study of diseases characterized by brain iron accumulation and can complement existing iron‐sensitive parametric methods.
Comparison of risk‐scoring systems for heparin‐induced thrombocytopenia in cardiac surgery patients
Authors: Stewart Jackson J. , Turgeon Ricky , Parker Arabesque , Koshman Sheri , Omar Mohamed A.
Published: October 2021

Objectives

Several risk‐scoring tools have been developed to exclude heparin‐induced thrombocytopenia (HIT) in patients with thrombocytopenia, but these scores have not been reproduced or compared in the cardiac surgery population. The objective of this study was to validate and compare the modified 4T's (m4T) and Lillo‐Le Louet (LLL) scores for HIT screening in the cardiac surgery population.

Methods

In this nested case–control study, we retrospectively calculated the m4T and the cardiac surgery‐specific score by LLL for 18 cases (HIT‐positive) and 54 matched controls (HIT‐negative) using characteristics known at the time the HIT assay was ordered post‐cardiac surgery and compared their performances by their c‐statistic (area under the receiver operating characteristic curve), sensitivity and specificity.

Results

The median time from surgery to HIT assay order was 9.5 days (IQR 3.75–11.0) in the HIT‐positive group and 2 days (IQR 2.0–3.0) in the HIT‐negative group (p < 0.0001). The c‐statistics for the m4T and the LLL scores were 0.76 (95% CI 0.64–0.85) and 0.63 (95% CI 0.51–0.74), respectively (p = 0.051). Sensitivity and specificity were 61% and 91% for the m4T, and 94% and 32% for the LLL score.

Conclusion

Performance of the m4T and LLL scores in discriminating HIT‐positive from HIT‐negative patients was modest among patients post‐cardiac surgery. However, differences between the sensitivities of these scores suggest that the LLL score may be a safer tool for ruling out HIT in this population.
Passages in culture and stimulation conditions influence protein expression of primary fibroblasts
Authors: Vivier Solange , Chepy Aurélien , Bray Fabrice , Guerrier Thomas , Speca Silvia , Flament Stéphanie , Jendoubi Manel , Balden Maïté , Rolando Christian , Hachulla Eric , Launay David , Dubucquoi Sylvain , Sobanski Vincent
Published: October 2021

Fibroblasts (Fb) are key effector cells in systemic sclerosis (SSc). Fb stimulation with transforming growth factor beta 1 (TGF‐β1) is considered as a positive control in studies assessing fibrogenesis. The lack of standardization of TGF‐β1 stimulation might be responsible for discrepancies in experiments performed in different conditions. Using quantitative proteomics analysis, we evaluated the impact of changes in experimental conditions on proteomic profiles of primary Fb. Principal component analysis (PCA) identified several groups of differentially expressed proteins influenced by cell passage, culture medium, and both concentration and duration of exposure to TGF‐β1 stimulation. Bioinformatics analysis revealed that late passages expressed proteins involved in senescence. TGF‐β1 concentration and time of stimulation were correlated with the expression of proteins involved in the fibrogenesis and inflammatory processes. These data underline the need for standardization of culture conditions to allow inter‐data comparisons in future in vitro studies, especially when using “omics” approaches.
Couplelinks online intervention for young couples facing breast cancer: A randomised controlled trial
Authors: Fergus Karen , Ahmad Saunia , Gardner Sandra , Ianakieva Iana , McLeod Deborah , Stephen Joanne , Carter Wendy , Periera Amanda , Warner Ellen , Panchaud Jim
Published: October 2021

Objective

Young women with breast cancer and their partners are more distressed than couples who are affected later in life. While dyadic interventions in the context of cancer are promising, there are access barriers, particularly for younger couples. This study evaluated Couplelinks, a professionally facilitated, web‐based program designed to help couples improve their conjoint coping.

Method

This randomised controlled trial employed a waitlist control evaluation of the program. Outcomes included dyadic coping, relationship adjustment, depression, and anxiety.

Results

Seventy‐five couples consented to participate and were randomised. The final analysis included 31 couples in the treatment group and 36 couples in the waitlist group. Modest improvements were found in positive dyadic coping but effects were not maintained at 3‐month follow‐up. No effect was seen on overall relationship adjustment.

Conclusions

Our findings inform the rapidly expanding field of online programming for couples in general, and those affected by BC in particular. Intervention timing, ‘dose’, low overall relational distress, and the mainly enrichment rather than problem‐focus of Couplelinks may help explain the lack of change on relationship adjustment.
Numerical investigation on the heterogeneous pulsed dielectric barrier discharge plasma catalysis for CO2 hydrogenation at atmospheric pressure: Effects of Ni and Cu catalysts on the selectivity conversions to CH4 and CH3OH
Authors: Du Jun , Zong Lijun , Zhang Shuai , Gao Yuan , Dou Liguang , Pan Jie , Shao Tao
Published: October 2021

The simulation model of the pulsed dielectric barrier discharge plasma catalytic CO2 hydrogenation is established to numerically investigate the effects of Ni and Cu catalysts on the selectivity conversions to CH4 and CH3OH. Under plasma without catalyst, the electron impact CO2 and CO produce CO and C, and then stepwise hydrogenations of CO and C generate CH3OH and CH4. Under plasma with Ni catalyst, Langmuir–Hinshelwood (LH) reactions mainly form the CHx(s) and Eley–Rideal (ER) reaction CH3(s) + H → CH4 are the key paths of CH4 synthesis. Under plasma with Cu catalyst, the intermediate CH3O(s) is principally produced by the LH reaction between CH2O(s) and H(s), followed by the ER reaction CH2O(s) + H → CH3O(s). While CH3OH(s) is mainly produced by the ER reaction CH3O(s) + H → CH3OH(s), CH3O(s) + H(s) → CH3OH(s) + S is a rate‐limiting step owing to the higher reaction energy barrier.
Structure and dynamics of the somatostatin receptor 3‐ligand binding in the presence of lipids examined using computational structural biology methods
Authors: Nagarajan Santhosh Kumar , Babu Sathya , Devaraju Panneer , Sohn Honglae , Madhavan Thirumurthy
Published: October 2021

In the past two decades, the structural biology studies on G‐protein coupled receptors (GPCRs) are on the rise. Understanding the relation between the structure and function of GPCRs is important as they play a huge role in various signaling mechanisms in a eukaryotic cell. Somatostatin receptor 3 (SSTR3), one of the GPCRs, is one such important receptor which oversees different cellular processes including cell‐to‐cell signaling. However, the information available regarding the structural features of SSTR3 responsible for their bioactivity is scarce. In this study, we report a structural understanding of SSTR3‐ligand binding that could be helpful in demystifying the structural complexities related to functioning of the receptor. An integrated protocol consisting of different computational structural biology tools including protein structure prediction via comparative modeling, binding site characterization, three‐dimensional quantitative structure–activity relationship based on comparative molecular field analysis and comparative molecular similarity indices analysis, density functional theory, and molecular dynamics simulations were performed. Different understandings from the simulation of SSTR3‐ligand complexes, mainly the conditions that are favorable for the formation of lowest bioactive state of SSTR3 ligands are reported. In addition to that, we report the important physicochemical descriptors of SSTR3 ligands that could significantly influence their bioactivity. The results of the study could be helpful in developing novel SSTR3 ligands (both agonists and antagonists) with high potency and receptor selectivity.
Temporal Resistance Drift in the Amorphous States of GST Phase‐Change Semiconductors: An Intrinsic Phenomenon in Nonequilibrium Systems
Authors: Freitas Ruben Jeronimo , Shimakawa Koichi
Published: October 2021

The electrical resistance of the amorphous phase gradually increases slowly with time, after switching from the crystalline state in phase‐change random‐access memory (PCRAM), which is known as the resistance drift (R‐drift). Although several interpretations of R‐drift have been proposed, the mechanisms are still not fully understood. The models are examined quantitatively by investigating the changes in the optical dielectric function and the resistance in the amorphous phase of Ge2Sb2Te5. The results suggest that R‐drift is an intrinsic phenomenon in nonequilibrium systems—the mechanical stress induced in the amorphous state relaxes into a more stable nonequilibrium state (order in disorder). Hence, R‐drift is not attributed to purely electronic processes.
Calculation of lattice vibrational and thermal properties of cadmium sulfide nanocrystal and growth preference of cadmium sulfide powder during microwave‐hydrothermal process
Authors: Fu Jia , Chen Su , Liu Xing
Published: October 2021

CdS nanocrystal is investigated by first‐principles calculations and experiments. Based on phonon spectra, the wurtzite CdS structure is thermodynamically stable. Debye temperature, specific heat capacity and thermal expansion coefficient are calculated to be 221.51 K, 47.68 J·mol−1·K−1 and 1.95×10−4 K−1, respectively. Band gaps of CdS single crystal and monolayer CdS supercell calculated by GGA–mBJ function are 2.74 eV and 2.38 eV. CdS powder is synthesized by microwave‐hydrothermal process (140 °C + 15 min), with particle size ranging from 50 to 1000 nm. HRTEM shows the nanocrystal distance of 6.676 Å between the (0001) crystal faces and growth preference along the [002] direction. The band gap of CdS thin film evaluated by UV–Vis absorption spectra is 2.41 eV, close to 2.38 eV of monolayer supercell, which provides theoretical basis for CdS doping to improve photoanode performance of piezoelectric semiconductors.
Censoring‐robust time‐dependent receiver operating characteristic curve estimators
Authors: Nuño Michelle M. , Gillen Daniel L.
Published: October 2021

Time‐dependent receiver operating characteristic curves are often used to evaluate the classification performance of continuous measures when considering time‐to‐event data. When one is interested in evaluating the predictive performance of multiple covariates, it is common to use the Cox proportional hazards model to obtain risk scores; however, previous work has shown that when the model is mis‐specified, the estimand corresponding to the partial likelihood estimator depends on the censoring distribution. In this manuscript, we show that when the risk score model is mis‐specified, the AUC will also depend on the censoring distribution, leading to either over‐ or under‐estimation of the risk score's predictive performance. We propose the use of censoring‐robust estimators to remove the dependence on the censoring distribution and provide empirical results supporting the use of censoring‐robust risk scores.
A Novel Selective “Turn‐On” Fluorescent Chemosensor Based on Thiophene Appended Cyclotriphosphazene Schiff Base for Detection of Ag+ Ions
Authors: Tümay Süreyya Oğuz
Published: October 2021

The salicylaldehyde‐functionalized cyclotriphosphazene (1) and thiophene appended cyclotriphosphazene based Schiff base (2) were designed and synthesized. The characterizations were carried out via MALDI‐TOF, FTIR, 13C, 31P and 1H NMR. The photophysical behavior of compound 2 was evaluated by UV‐Vis absorption, time‐resolved fluorescence, excitation‐emission matrix (EEM) analysis, steady‐state fluorescence, and 3D‐fluorescence spectroscopies. Compound 2 demonstrated selective fluorescence “turn‐on” response at 427 nm towards to Ag+ ion when the tested competitive species did not affect fluorescence signal. The binding and sensing mechanisms were evaluated by DFT calculations which approved that the PET process between C=N and fluorophore groups was inhibited, and the fluorescence “turn‐on” response was obtained with the contribution of CHEF after 1 : 1 coordination of compound 2 with Ag+ ion. The LOD and LOQ were calculated as 3.15 and 9.45 μmol L−1, respectively in the linear range of 9.35–210.00 μmol L−1 Ag+ ions. The practical application of compound 2 for Ag+ determination was successfully performed in environmental waters after optimization of measurement conditions. The obtained results approved that compound 2 is a selective fluorescent sensor for Ag+ ions and it can be used for spectrofluorimetric Ag+ determination in real samples. Importantly, according to the literature, this report is the first example of cyclotriphosphazene based fluorescent sensor for Ag+ ion.
Nanobody‐Engineered Natural Killer Cell Conjugates for Solid Tumor Adoptive Immunotherapy
Authors: Gong Liang , Li Yanchun , Cui Kaisa , Chen Ying , Hong Haofei , Li Jiuming , Li Dan , Yin Yuan , Wu Zhimeng , Huang Zhaohui
Published: October 2021

Cancer immunotherapy based on natural killer (NK) cells is demonstrated to be a promising strategy. However, NK cells are deficient in ligands that target specific tumors, resulting in limited antitumor efficacy. Here, a glycoengineering approach to imitate the chimeric antigen receptor strategy and decorate NK cells with nanobodies to promote NK‐based immunotherapy in solid tumors is proposed. Nanobody 7D12, which specifically recognizes the human epidermal growth factor receptor (EGFR) that is overexpressed on many solid tumors, is coupled to the chemically synthesized DBCO‐PEG4‐GGG‐NH2 by sortase A‐mediated ligation to generate DBCO‐7D12. The NK92MI cells bearing azide groups are then equipped with DBCO‐7D12 via bioorthogonal click chemistry. The resultant 7D12‐NK92MI cells exhibit high specificity and affinity for EGFR‐overexpressing tumor cells in vitro and in vivo by the 7D12‐EGFR interaction, causing increased cytokine secretion to more effectively kill EGFR‐positive tumor cells, but not EGFR‐negative cancer cells. Importantly, the 7D12‐NK92MI cells also show a wide anticancer spectrum and extensive tumor penetration. Furthermore, mouse experiments reveal that 7D12‐NK92MI treatment achieves excellent therapeutic efficacy and outstanding safety. The authors’ works provide a cell modification strategy using specific protein ligands without genetic manipulation and present a potential novel method for cancer‐targeted immunotherapy by NK cells.
Ultrastretchable, Adhesive, and Antibacterial Hydrogel with Robust Spinnability for Manufacturing Strong Hydrogel Micro/Nanofibers
Authors: He Xiao , Li Zhangkang , Li Jia , Mishra Dinesh , Ren Yuxuan , Gates Ian , Hu Jinguang , Lu Qingye
Published: October 2021

The ultrastretchable (over 12 400%) hydrogel with long‐lasting adhesion, strong antibacterial activity, and robust spinnability is developed based on the oxidative decarboxylation and quinone‐catechol reversible redox reaction induced by Ag‐lignin nanoparticles in a precursor solution containing citric acid (CA), acrylic acid (AA), and poly (acrylamide‐co‐acrylic acid) (P(AAm‐co‐AA)). With massive reversible interactions including hydrogen bonds and electrostatic forces, such hydrogel exhibits promising injectability and is facilely spun via manual drawing, draw‐spinning, and electrospinning for manufacturing strong hydrogel micro/nanofibers. The resulting fibers exhibit excellent mechanical properties, including tensile stress of 422.0 MPa, strain of 86.5%, Young's modulus of 8.7 GPa, and toughness of 281.6 MJ m−3. The hydrogel microfibers obtained from a house‐built spinner are scaled‐up fabricated while retaining promising mechanical properties, as evidenced by lifting a load (317.2 g) using the spun fibers of ≈33 000 times lighter weight (9.5 mg), indicating their great potentials in the applications such as net and safety cord which require robust mechanical properties. Moreover, assisted by a commercial electrospinning machine, nanosized hydrogel fibers are facilely spun on personal protective equipment such as a mask to offer an antiseptic coating with near 100% killing efficiency against airborne bacteria aerosols, demonstrating the capability of spun hydrogel fibers on disinfection‐related applications.
Bloch Surface Waves Mediated Micro‐Spectroscopy
Authors: Wang Ruxue , Lei Xinrui , Liu Li , Wu Longsheng , Wu Aimin
Published: October 2021

Micro‐spectroscopy is a critical instrument for spectrum analysis in various applications such as chemical and biological analysis, environment detection, and hyperspectral imaging. However, current micro‐spectral technique requires bulky and costly spectrometer. In this report, a new type of Bloch surface wave (BSW) based micro‐spectrometer is proposed. A single silicon nanoparticle sitting on a dielectric multilayer substrate is used to excite the BSW which acts as a nanoscale unknown source. Taking advantage of the dispersion relations of BSWs, an abundant spectrally related database is formed that is useful for spectrum retrieval applications. Back‐focal plane images are used to monitor the change of angular spectrum corresponding to the dispersion relationship of Bloch surface waves. Combined with an iterative algorithm, experimental retrieval of visible‐range monochromatic and broadband light spectrums can be obtained. The resolution of the spectrometers can reach 2 nm across a wavelength range of 130 nm. The method in this work is CMOS compatible, enabling spectra retrieval for nanoscale radiators and can also be used to measure and retrieve the microscopic spectrum signal rapidly and timely without conventional scanning monochromator spectrometer.
Interfacial Engineering of Na3V2(PO4)2F3 Hollow Spheres through Atomic Layer Deposition of TiO2: Boosting Capacity and Mitigating Structural Instability
Authors: Sharabani Tali , Taragin Sarah , Perelshtein Ilana , Noked Malachi , Mukherjee Ayan
Published: October 2021

To mitigate the associated challenges of instability and capacity improvement in Na3V2(PO4)2F3 (NVPF), rationally designed uniformly distributed hollow spherical NVPF and coating the surface of NVPF with ultrathin (≈2 nm) amorphous TiO2 by atomic layer deposition is demonstrated. The coating facilitates higher mobility of the ion through the cathode electrolyte interphase (CEI) and enables higher capacity during cycling. The TiO2@NVPF exhibit discharge capacity of >120 mAhg−1, even at 1C rates, and show lower irreversible capacity in the first cycle. Further, nearly 100% capacity retention after rate performance in high current densities and 99.9% coulombic efficiency after prolonged cycling in high current density is reported. The improved performance in TiO2@NVPF is ascribed to the passivation behavior of TiO2 coating which protects the surface of NVPF from volume expansion, significantly less formation of carbonates, and decomposition of electrolyte, which is also validated through post cycling analysis. The study shows the importance of ultrathin surface protection artificial CEI for advanced sodium‐ion battery cathodes. The protection layer is diminishing parasitic reaction, which eventually enhances the Na ion participation in reaction and stabilizes the cathode structure.
Anchoring Group Mediated Radiolabeling for Achieving Robust Nanoimaging Probes
Authors: Chen Lei , Ge Jianxian , Huang Baoxing , Zhou Dandan , Huang Gang , Zeng Jianfeng , Gao Mingyuan
Published: October 2021

Radiolabeling counts for much in the functionalization of inorganic nanoparticles (NPs) because it endows NPs with high‐sensitive imaging capacities apart from providing accurate pharmacokinetic information on the labeled particles, which makes the development of relevant radiolabeling chemistry highly desirable. Herein, a novel Ligand Anchoring Group MEdiated RAdioLabeling (LAGMERAL) method is reported, in which a polyethylene glycol (PEG) ligand with a diphosphonate (DP) terminal group plays a key role. It offers possibilities to radiolabel NPs through the spare coordination sites of the DP anchoring group. Through X‐ray absorption spectroscopy studies, the coordination states of the foreign metal ions on the particle surface are investigated. In addition, radioactive Fe3O4 NPs are prepared by colabeling the particles with 125I at the outskirt of the particles through a phenolic hydroxyl moiety of the PEG ligand, and 99mTc at the root of the ligand, respectively. In this way, the stabilities of these types of radiolabeling are compared both in vitro and in vivo to show the advantages of the LAGMERAL method. The outstanding stability of probe and simplicity of the labeling process make the current approach universal for creating advanced NPs with different combinations of functionalities of the inorganic NPs and radioactive properties of the metal radioisotopes.
Extension of the Freiberg Layer Model by Means of Elastic–Plastic Material Behavior
Authors: Weiner Max , Schmidtchen Matthias , Prahl Ulrich
Published: October 2021

Finite element method simulations offer deep and detailed modeling of complex processes, but with high effort of computation power and time. For the special purpose of flat rolling, a layer model was developed by Schmidtchen before based on the classic elementary theory of plasticity with the purpose to model inhomogeneous behavior with significant lower effort at computation. This model considered the layers only as rigid or in plastic deformation state. Herein, the model is extended by elastic material behavior to get closer to the depth of finite elements method (FEM) models. The results are first compared with a FEM simulation and measurements from the literature. The current model is found to fit well the FEM results as well as the measurements. Second, the results are compared with classic elementary theory and the layer model of Schmidtchen. From these comparisons is found, that the main elastic influences on the stress curve shape are due to the full elastic zones. Elastic deformations in the plastic regions are found to be smaller, but growing on transition from block rolling to thin sheet rolling.
Achieving Low Yield Ratio in High‐Strength Steel by Tuning Multiple Microstructures
Authors: Shi Rongjian , Wang Tengfei , Gao Kewei , Wang Zidong , Qiao Lijie , Pang Xiaolu
Published: October 2021

Herein, martensite–ferrite dual‐phase high‐strength low‐alloy (HSLA) steels with a low yield ratio (YR), which is achieved through different heat‐treatment procedures, are evaluated in terms of multiple microstructures, e.g., grain size, soft‐phase proportion, and morphology. The extended austenitizing time exhibits a low YR by sacrificing both the yield and tensile strengths synchronously. By subtly regulating the tempering temperatures, the YR can be optimized from 0.93 to 0.89 after tempering at an applicable temperature. Moreover, by introducing the equivalent shape factor (ESF), the morphology effects of ferrite on the YR are investigated based on the microstructural observation and Abaqus finite element analysis. The YR is inversely proportional to the ESF of the microstructure, which can be used to guide the design of microstructural morphology. The correlation between the yield strength (YS), YR, and work hardening exponent is achieved using the Swift equation. The lower YR generates greater work hardening and reduced YS. By tuning multiple microstructures, high YS and relatively low YR are achieved via the secondary‐quenching intercritical heat treatment, which is beneficial for designing low‐yield‐ratio HSLA steels in industrial applications.
Element Migration Behaviors During the Reduction of Vanadium Slag for Iron‐Removal and Vanadium‐Enrichment
Authors: Zhang Lingxi , Chen Min , Sun Xiaolei , Wang Shun
Published: October 2021

The lengthy production procedures of FeV alloy from vanadium slag (VS) presently may cause high production costs and hazardous leaching liquor waste containing toxic V5+ and Cr6+ ions. A two‐step direct reduction technology is considered a short and environmental‐friendly process to solve the aforementioned problems. Solar grade silicon cutting slurry waste (SoG‐Siw) containing Si and SiC is regarded as an effective reductant to achieve comprehensive resource utilization and control reductant cost. The element migration behaviors during the reduction process are clarified from phase transitions and microcosmic features. The results showed that 78.7 wt% of Fe and 38.6 wt% of Cr migrated from slag to the metal phase with a mass ratio of pretreated SoG‐Siw (Si‐SiCmixt) to VS (S/V) of 0.15 after soaking at 1823 K for 60 min. The content of V2O3 is enriched from 12.14 to 16.13 wt%. The mass ratio of V to Fe increased from 0.28 to 1.40, satisfying the composition goal of the production of FeV60 alloy (50–65 wt% V). With an increase of S/V to 0.20, 4.6 wt% of V migrated from slag to the metal phase, causing the loss of vanadium. The reduction path is FeO → Fe2TiO4 → (Mn, Fe)(V, Cr)2O4 → (V, Cr)2O3.
Online Parameter Estimation of Surface‐Mounted Permanent Magnet Synchronous Machine Based on Variable‐Step Neural Network
Authors: Tang Chen , Jiang Quan , Ma Run
Published: October 2021

This paper proposes a multiparameter estimation method for surface‐mounted permanent magnet synchronous machine (SPMSM) under constant load torque, of which the variations ofdq‐axis inductances and rotor flux linkage have been taken into consideration. Second, the voltage equations will be transformed to eliminate the distorted voltage caused by the voltage‐source inverter nonlinearity. On this basis, an improved variable‐step Adaline neural network algorithm based on hyperbolic tangent function is proposed to estimate the parameters of SPMSM online, which can increase the convergence speed and reduce the steady‐state errors compared to the traditional algorithm. Finally, in view of the high sensitivity of inductance, another new method that can reduce the fluctuation rate is proposed. In addition, the effectiveness of these methods is verified through experiments on a small‐power SPMSM. © 2021 Institute of Electrical Engineers of Japan. Published by Wiley Periodicals LLC.
Improved SinGAN's Performance by Changing the Activation Function
Authors: Segawa Ryo , Hayashi Hitoshi
Published: October 2021

Generative adversarial nets (GANs) perform well on a variety of tasks, but rely on large datasets and expensive computer‐based learning. SinGAN was proposed as a GANs that overcomes this problem, but its super‐resolution performance for large‐scale natural images was not very good. In this study, we aimed to improve the performance of SinGAN by changing the activation function. As a result of the verification, it was found that applying RSwish to the generator and Swish to the discriminator can generate an image with less deterioration as a whole than the default. © 2021 Institute of Electrical Engineers of Japan. Published by Wiley Periodicals LLC.
RETRACTED: Serum cadmium positively correlates with inflammatory cytokines in patients with chronic obstructive pulmonary disease
Authors: Jiang Ya‐Lin , Fei Jun , Cao Peng , Zhang Chen , Tang Min‐Min , Cheng Jia‐Yi , Zhao Hui , Fu Lin
Published: October 2021

Background

Cadmium is a ubiquitous toxic heavy metal and environmental toxicant. Inflammation exerts central roles in the process of chronic obstructive pulmonary disease (COPD). However, few epidemiological studies on the correlation between cadmium exposure and COPD are available. The aim of this study was to evaluate the correlations among serum cadmium, inflammatory cytokines and pulmonary function in COPD patients.

Methods

All 940 COPD patients were finally recruited in this study. Demographic characteristics and clinical information were extracted. Fasting serum was collected. Serum cadmium was detected through graphite furnace atomic absorption spectrophotometry. Serum inflammatory cytokines were measured using enzyme‐linked immunosorbent assay.

Results

All patients were classified into three groups according to the tertile division of serum cadmium concentration: low (<0.77 μg/L, L), medium (0.77–1.01 μg/L, M), and high (1.01 μg/L, H). Logistic regression analysis found that serum cadmium was inversely correlated with pulmonary function before and after adjusted confounding variables. When stratified by gender, serum cadmium was still negatively correlated with pulmonary function in COPD patients. Moreover, higher serum cadmium elevated CAT (COPD Assessment Test) score before and after adjusted confounding variables. Though a non‐linear association between serum cadmium and inflammatory cytokines, serum cadmium was positively associated with inflammatory cytokines (TNF‐α and MCP‐1). TNF‐α and MCP‐1 exerted a partial mediator in the association between cadmium exposure and pulmonary function decline in COPD patients.

Conclusions

Serum cadmium concentration is inversely correlated with pulmonary function among COPD patients. Inflammatory cytokines may be important mediators for cadmium‐induced pulmonary function decline in COPD patients.
A unified molecular‐wide and electron density based concept of chemical bonding
Authors: Cukrowski Ignacy
Published: October 2021

Chemical bonding is at heart but, not being a quantum mechanical‐defined physical property of a system, is a subject of endless and often fruitless debates. Having so many and very different models of chemical bonding without knowing what this really is does not make it easier. There is, however, a general agreement that concentrating electron density (ED) in and delocalizing ED to internuclear region is always associated with minimizing system's energy and synonymous with chemical bonding. Fragment, atomic, localized, delocalized, and interatomic (FALDI)‐based density analysis involves entire space occupied by a molecule. From this molecular‐wide and density‐based methodology, it is possible to quantify localized and delocalized by all atoms ED at any coordinater, including critical points on Bader's molecular graphs. Each atom and atom‐pair contributions of delocalized density are quantified to reveal major players in the all‐atom and molecular‐wide chemical bonding. Partitioning the total ED to individual molecular or natural orbital's contributions using MO‐ED and MO‐DI methods, in conjunction with one dimensional (1D) cross section methodology, generates an orbital‐based molecular‐wide picture. This provides, besides reproducing results from FALDI, qualitative description of orbitals' nature that correlates well with classical understanding of bonding, nonbonding, and antibonding orbitals. A qualitative and quantitative impact of an immediate, distant, or molecular‐wide molecular environment on intra‐ and intermolecular di‐atomic, intra‐ and interfragment interactions is the domain of the Fragment Attributed Molecular System Energy Change (FAMSEC) family of methods. The FALDI, FAMSEC, MO‐ED, MO‐DI, and 1D cross section methodologies provide consistent and quantifiable physics‐based picture of molecular‐wide chemical bonding without invoking unicorns, such as a chemical bond.

This article is categorized under:

Electronic Structure Theory > Density Functional Theory

Electronic Structure Theory > Ab Initio Electronic Structure Methods

Molecular and Statistical Mechanics > Molecular Interactions