bluuebunny/crossref_metadata_2025 huggingface dataset:
An integrative model with HLA‐DR, CD64, and PD‐1 for the diagnostic and prognostic evaluation of sepsis
Authors: Chen Guosheng , Chong Huimin , Zhang Peng , Wen Dalin , Du Juan , Gao Chu , Zeng Shi , Zeng Ling , Deng Jin , Zhang Kejun , Zhang Anqiang
Published: January 2024

Background

Sepsis is a life‐threatening organ dysfunction caused by a dysregulated host response to infection and progressive immunosuppression with high mortality. HLA‐DR, CD64, and PD‐1 were assumed to be useful biomarkers for sepsis prediction. However, the ability of a combination of these biomarkers has not been clarified.

Methods

An observational case‐control study was conducted that included 30 sepsis patients, 30 critically ill patients without sepsis admitted to the intensive care unit (ICU), and 32 healthy individuals. The levels of HLA‐DR, CD64, and PD‐1 expression in peripheral blood immune cells and subsets was assayed on Days 1, 3, and 5, and the clinical information of patients was collected. We compared these biomarkers between groups and evaluated the predictive validity of single and combined biomarkers on sepsis mortality.

Results

The results indicate that PD‐1 expression on CD4−CD8−T (PD‐1+CD4−CD8−T) (19.19% ± 10.78% vs. 9.88% ± 1.79%, p = .004) cells and neutrophil CD64 index (nCD64 index) (9.15 ± 5.46 vs. 5.33 ± 2.34, p = .001) of sepsis patients were significantly increased, and HLA‐DR expression on monocytes (mHLA‐DR+) was significantly reduced (13.26% ± 8.06% vs. 30.17% ± 21.42%, p = 2.54 × 10−4) compared with nonsepsis critically ill patients on the first day. Importantly, the expression of PD‐1+CD4−CD8−T (OR = 0.622, 95% CI = 0.423–0.916, p = .016) and mHLA‐DR+ (OR = 1.146, 95% CI = 1.014–1.295, p = .029) were significantly associated with sepsis mortality. For sepsis diagnosis, the mHLA‐DR+, PD‐1+CD4−CD8−T, and nCD64 index showed the moderate individual performance, and combinations of the three biomarkers achieved greater diagnostic value (AUC = 0.899, 95% CI = 0.792–0.962). When adding PCT into the combined model, the AUC increased to 0.936 (95% CI = 0.840–0.983). For sepsis mortality, combinations of PD‐1+CD4−CD8−T and mHLA‐DR+, have a good ability to predict the prognosis of sepsis patients, with an AUC = 0.921 (95% CI = 0.762–0.987).

Conclusion

These findings indicate that the combinations of HLA‐DR, CD64, and PD‐1 outperformed each of the single indicator in diagnosis and predicting prognosis of sepsis.
Impacts of probiotics on the efficacies of immune checkpoint inhibitors with or without chemotherapy for patients with advanced non‐small‐cell lung cancer
Authors: Morita Ayako , Ichihara Eiki , Inoue Koji , Fujiwara Keiichi , Yokoyama Toshihide , Harada Daijiro , Ando Chihiro , Kano Hirohisa , Oda Naohiro , Tamura Tomoki , Ochi Nobuaki , Kawai Haruyuki , Inoue Masaaki , Hara Naofumi , Fujimoto Nobukazu , Ichikawa Hirohisa , Oze Isao , Hotta Katsuyuki , Maeda Yoshinobu , Kiura Katsuyuki
Published: January 2024

The relationships between the therapeutic effects of immune checkpoint inhibitors (ICIs) and the intestinal flora have attracted increasing attention. However, the effects of oral probiotics on the efficacies of ICIs used to treat non‐small‐cell lung cancer (NSCLC) remain unclear. We investigated the effects of probiotics on the efficacies of ICIs in patients treated with and without chemotherapy. We investigated patients with advanced NSCLC on ICI monotherapy or combination ICI and chemotherapy using the Okayama Lung Cancer Study Group Immunotherapy Database (OLCSG‐ID) and the Okayama Lung Cancer Study Group Immunochemotherapy Database (OLCSG‐ICD). In total, 927 patients (482 on ICI monotherapy, 445 on an ICI + chemotherapy) were enrolled. Most were male, of good performance status, smokers, and without epidermal growth factor receptor (EGFR)/anaplastic lymphoma kinase (ALK) mutations. Probiotics were administered to 19% of patients on ICI monotherapies and 17% of those on ICIs + chemotherapy. Of the former patients, progression‐free survival (PFS) and overall survival (OS) were significantly better in the probiotics group (PFS 7.9 vs. 2.9 months, hazard ratio [HR] 0.54, p < .001; OS not attained vs. 13.1 months, HR 0.45, p < .001). Among patients receiving ICI and chemotherapy, there were no significant differences in PFS between those on probiotics and not but OS was significantly better in the probiotics group (PFS 8.8 vs. 8.6 months, HR 0.89, p = .43; OS not attained vs. 22.6 months, HR 0.61, p = .03). Patients on probiotics experienced better outcomes following ICI treatment.
New mode of action of curcumin on prostate cancer cells: Modulation of endoplasmic reticulum‐associated degradation mechanism and estrogenic signaling
Authors: Erzurumlu Yalcin , Dogan Hatice Kubra , Catakli Deniz
Published: January 2024

Prostate cancer is leading to cancer‐related mortality in numerous men each year worldwide. While there are several treatment options, acquired drug resistance mostly limits the success of treatments. Therefore, there is a need for the development of innovative treatments. Curcumin is one of the bioactive polyphenolic ingredients identified in turmeric and has numerous biological activities, such as anti‐inflammatory and anticancer. In the present study, we investigated the effect of curcumin on the ER‐associated degradation (ERAD) and estrogenic signaling in prostate cancer cells. The antiproliferative effect of curcumin on human androgen‐dependent prostate cancer cell lines LNCaP and VCaP was estimated by WST‐1 assay. Morphological alterations were investigated with an inverted microscope. We investigated the effect of curcumin on ERAD and estrogen signaling proteins by immunoblotting assay. To evaluate the impact of curcumin on endoplasmic reticulum (ER) protein quality‐related, the expression level of 32 genes was analyzed by quantitative reverse transcription polymerase chain reaction. The nuclear translocation of estrogen receptor was examined by nuclear fractionation and immunofluorescence microscopy. We found that curcumin effectively reduced the proliferation rates of LNCaP and VCaP cells. ERAD proteins; Hrd1, gp78, p97/VCP, Ufd1 and Npl4 were strongly induced by curcumin. Also, the steady‐state level of polyubiquitin was increased in a dose‐dependent manner in both cell lines. Curcumin administration remarkably decreased the protein levels of estrogen receptor‐alfa (Erα), whereas estrogen receptor‐beta unaffected. Additionally, curcumin strongly restricted the nuclear translocation of Erα. Present data suggest that curcumin may be effectively used in therapeutic approaches associated with the targeting ER protein quality control mechanism and modulation of estrogen signaling in prostate cancer.
Exploring the Tl 2H 2 potential energy surface: A comparative analysis with group 13 systems and experiment
Authors: Tang Carson L. , Heide Alexander G. , Heide Alexandra D. , Douberly Gary E. , Turney Justin M. , Schaefer Henry F.
Published: January 2024

Thallium chemistry is experiencing unprecedented importance. Therefore, it is valuable to characterize some of the simplest thallium compounds. Stationary points along the singlet and triplet TlH potential energy surface have been characterized. Stationary point geometries were optimized with the CCSD(T)/aug‐cc‐pwCVQZ‐PP method. Harmonic vibrational frequencies were computed at the same level of theory while anharmonic vibrational frequencies were computed at the CCSD(T)/aug‐cc‐pwCVTZ‐PP level of theory. Final energetics were obtained with the CCSDT(Q) method. Basis sets up to augmented quintuple‐zeta cardinality (aug‐cc‐pwCV5Z‐PP) were employed to obtain energetics in order to extrapolate to the complete basis set limits using the focal point approach. Zero‐point vibrational energy corrections were appended to the extrapolated energies in order to determine relative energies at 0 K. It was found that the planar dibridged isomer lies lowest in energy while the linear structure lies highest in energy. The results were compared to other group 13 MH (M = B, Al, Ga, In, and Tl) theoretical studies and some interesting variations are found. With respect to experiment, incompatibilities exist.
Transgender and gender diverse individuals' perspectives on discussions of fetal sex chromosomes in obstetrics care
Authors: Tyrie Dana , Oliva Alejandra , Llorin Hannah , Zayhowski Kimberly
Published: January 2024

In the past decade, prenatal cell‐free DNA screening (cfDNA) has become ubiquitous as a screening tool for fetal aneuploidy and sex chromosomes. Healthcare provider (HCP) discussions and public perceptions of sex and gender uniquely impact transgender and gender diverse (TGD) individuals, and existing cfDNA guidelines lack recommendations regarding how to discuss sex and gender prenatally. The aim of this exploratory qualitative study was to examine TGD individuals' opinions regarding fetal sex chromosome disclosure sessions. Twelve semi‐structured virtual interviews were conducted with TGD individuals regarding their perspectives on the discussion of fetal sex chromosomes by HCPs within the prenatal setting. Interviews were coded and analyzed using a reflexive thematic approach, generating four major themes: (1) Current practices in prenatal care exclude gender diverse people; (2) HCPs' responsibility to de‐gender discussions of sex chromosomes in prenatal care; (3) HCPs' responsibility to acknowledge gender diversity; and (4) HCPs' influence on societal perceptions of sex and gender. More guidance is needed from professional societies regarding best practices for HCP discussions of sex chromosomes, sex, and gender. Participants recommended HCPs educate patients about sex chromosomes and their relevance to health while avoiding the conflation of sex and gender terms. Additionally, there is an acute need for trans‐inclusive prenatal healthcare. Ultimately, HCPs' and organizations are in a prime position to deconstruct rigid gender binaries and promote societal inclusion of TGD people.
Neuropsychological stability in classical galactosemia: A pilot study in 10 adult patients
Authors: Hermans Merel E. , Geurtsen Gert J. , Hollak Carla E. M. , Bosch Annet M.
Published: January 2024

Classical galactosemia (CG) is an autosomal recessive disorder of galactose metabolism. Despite early initiation of a galactose‐restricted diet, patients develop long‐term complications including cognitive impairment. There is an ongoing debate whether the cognitive impairment in CG is stable throughout life or progresses with age. Earlier cross‐sectional and longitudinal studies regarding intelligence suggest stability, but longitudinal neuropsychological studies focusing on specific cognitive functions are limited. Therefore, the aim of this study is to assess cognitive change over time in adult CG‐patients. Ten adult patients with normal to borderline intelligence (mean age 33 years, range 22–49; IQ≥70 or independent work‐ or living situation) were assessed twice with a mean time interval of 3 years and 9 months (range 1023–1575 days). The neuropsychological assessments covered information processing speed, executive functioning, verbal fluency, and visuospatial functioning. Results showed that there was no significant decline or improvement in test scores on all neuropsychological measures except a decline on the Trail Making Test‐A (p = 0.048). However, this group‐level difference was subject to “regression to the mean” and was not endorsed by significant change in test scores measuring the same cognitive domain. Moreover, no specific pattern of reliable change (RCI > ‐1.96) was present on specific measures or within individual patients. This explorative study performed in 10 adult CG‐patients with normal to borderline intelligence revealed no cognitive change on several cognitive domains. This implies that the subset of adults with a normal to borderline IQ in their early and middle adulthood are cognitively stable.
Ontogenetic shifts in body form in the bull shark Carcharhinus leucas
Authors: Gayford Joel H. , Whitehead Darren A. , Jaquemet Sébastien
Published: January 2024

Recent studies have uncovered mosaic patterns of allometric and isometric growth underlying ontogenetic shifts in the body form of elasmobranch species (shark and rays). It is thought that shifts in trophic and spatial ecology through ontogeny drive these morphological changes; however, additional hypotheses relating to developmental constraints have also been posed. The bull shark (Carcharhinus leucas) is a large‐bodied coastal shark that exhibits strong ontogenetic shifts in trophic and spatial ecology. In this study, we utilise a large data set covering a large number of morphological structures to reveal ontogenetic shifts in the body form of C. leucas, stratifying analyses by sex and size classes to provide fine‐scale, more ecomorphologically relevant results. Our results indicate shifts in functional demands across the body through ontogeny, driven by selective pressures relating to trophic and spatial ecology driving the evolution of allometry. We also find significant differences in scaling trends between life stages, and between the sexes, highlighting the importance of utilising large, diverse datasets that can be stratified in this way to improve our understanding of elasmobranch morphological evolution. Ultimately, we discuss the implications of these results for existing ecomorphological hypotheses regarding the evolution of specific morphological structures, and pose novel hypotheses where relevant.
Validity of individual self‐report oral health measures in assessing periodontitis for causal research applications
Authors: Bond Julia C. , Casey Sharon M. , McDonough Robert , McLone Suzanne G. , Velez Mabeline , Heaton Brenda
Published: January 2024

Background

Self‐reported measures of periodontitis developed for use in population surveillance are increasingly used in causal research. Numerous studies evaluate the validity of these measures against clinical parameters of periodontitis, yet few include validation parameters outside of multivariable models. Individual item validity is necessary to adequately inform use of these measures in causal research.

Methods

We used data from the National Health and Nutrition Examination Survey 2011‐2014 in which dentate participants completed full‐mouth periodontal examinations (N = 6966). We evaluated six self‐report questionnaire items related to periodontal disease status against periodontitis case definitions developed by the Centers for Disease Control and Prevention and American Academy of Periodontology (CDC‐AAP). We estimated the sensitivity and specificity of individual items using severe and moderate‐to‐severe periodontitis classifications. We additionally combined items to evaluate the validity of joint measures.

Results

Sensitivity was highest when measures were evaluated against severe periodontitis. Self‐rated oral health of fair/poor demonstrated the highest sensitivity for severe (0.60) and moderate‐to‐severe periodontitis (0.48). Specificity was highest when evaluated against moderate‐to‐severe periodontitis, with self‐reported history of tooth mobility as the most specific measure (0.87 for severe disease; 0.92 for moderate‐to‐severe) followed by a history of bone loss (0.88 for severe; 0.91 for moderate‐to‐severe). Combining questions generally improved specificity at the expense of sensitivity.

Conclusions

Our findings related to item‐specific validity and the associated clinical profiles facilitate needed considerations for the use of self‐reported measures of periodontitis in causal research. Additionally, item‐specific validity can be used to inform assessments of misclassification bias within such investigations.
BST2 promotes gastric cancer metastasis under the regulation of HOXD9 and PABPC1
Authors: Li Jiaying , Yang Ping , Hong Linjie , Xiao Wushuang , Zhang Luyu , Yu Zhen , Zhang Jieming , Pei Miaomiao , Peng Ying , Wei Xiangyang , Wu Xiaosheng , Tang Weimei , Zhao Yingying , Yang Juanying , Lin Zhizhao , Jiang Ping , Xiang Li , Zhang Hui , Lin Jianjiao , Wang Jide
Published: January 2024

Gastric cancer (GC) constitutes substantial cancer mortality worldwide. Several cancer types aberrantly express bone marrow stromal cell antigen 2 (BST2), yet its functional and underlying mechanisms in GC progression remain unknown. In our study, RNA sequencing data revealed that BST2 was transcriptionally activated by homeobox D9 (HOXD9). BST2 was significantly upregulated in GC tissues and promoted epithelial–mesenchymal transition and metastasis of GC. BST2 knockdown reversed HOXD9's oncogenic effect on GC metastasis. Moreover, BST2 messenger RNA stability could be enhanced by poly(A) binding protein cytoplasmic 1 (PABPC1) through the interaction between BST2 3′‐UTR and PABPC1 in GC cells. PABPC1 promoted GC metastasis, which BST2 silencing attenuated in vitro and in vivo. In addition, positive correlations among HOXD9, BST2, and PABPC1 were established in clinical samples. Taken together, increased expression of BST2 induced by HOXD9 synergizing with PABPC1 promoted GC cell migration and invasion capacity.
Modeling the effect of daughter migration on dosimetry estimates for unlabeled actinium‐225
Authors: Tronchin Stephen , Forster Jake , Hickson Kevin , Bezak Eva
Published: January 2024

Background

Actinium‐225 (225Ac) is an alpha emitting radionuclide which has demonstrated promising results in Targeted Alpha Therapy (TAT). A concern with 225Ac is that the decay energy can break the bond to the targeting vehicle, resulting in the release of free alpha‐emitting daughter radionuclides in the body.

Purpose

The aim of this work is to develop a compartment model to describe the movement of unlabeled 225Ac in a human where the daughter isotopes of 225Ac have unique biokinetics.

Method

The ICRP Occupational Intake of Radionuclides reports were used to construct a compartment model for the 225Ac decay chain where the daughter isotopes of 225Ac are assigned their own unique transfer coefficients (TCs) between compartments. Computer simulations were performed for unlabeled 225Ac uniformly placed in the plasma and only the dose from alpha particles was considered. Absorbed doses to normal organs were determined for the liver, kidneys, bone, soft tissue, active marrow, and blood. Simulations were performed for the case when: (1) the daughters have unique biokinetics and (2) the daughters decay at the site of 225Ac.

Results

When the daughters have unique biokinetics, the organs that receive the highest absorbed dose are the liver (male: 1466.6 mGy/MBq, female: 1885.7 mGy/MBq), bone (male: 293.6 mGy/MBq, female: 403.6 mGy/MBq) and kidneys (male: 260.8 mGy/MBq, female: 294.0 mGy/MBq). These doses were compared to the case when the daughters of 225Ac decay at the site of 225Ac. There was a 13.5% increase in kidney dose, a 0.8% decrease in liver dose, and <0.1% decrease in bone dose calculations when the daughters have unique biokinetics compared to assuming the daughters decay at the site of 225Ac.

Conclusions

The kidneys received a large dose estimate (260‐295 mGy/MBq) as well as a considerable change in dose of +13.5% when the daughters have unique biokinetics compared to assuming the daughters decay at the site of 225Ac. Therefore, to accurately determine the kidney dose from unlabeled 225Ac in a human, the biokinetics of the daughter isotopes should be considered.
Graft‐crosslinked graphene oxide nanofiltration membrane with pH‐responsive nanochannels
Authors: Wang Yangyang , Yan Hongding , Ma Mengxu , Zhou Chenkai , Hou Qian , Xu Zehong , Xia Min , Ni Huagang , Jia Yanrong , Ye Peng
Published: January 2024

Electrostatic effect and Donnan effect could effectively improve the separation performance of nanofiltration membrane. Polyions were grafted from graphene oxide (GO) nanosheets to prepare the nanofiltration membrane, and the electrostatic effect and Donnan effect in the membrane pores could be greatly improved. The GO was modified by introducing double bonds. Then, polyanionic poly(acrylic acid) (PAA) and polycationic diallyldimethylammonium chloride (PDDA) were grafted from GO nanosheets, which were employed to fabricate the nanofiltration membranes, respectively. Therefore, nanofiltration membranes GO‐PAA and GO‐PDDA with cross‐linked structure and pH responsiveness were prepared. The separation effect of the anionic dyes was over 99%, and the membrane had perfect adsorption effect on cationic dyes. The cross‐linked structure formed between GO nanosheets inhibited the change of the interlayer spacing of the nanofiltration membrane. The conformation of the graft chains could be adjusted by the pH value of the solution, by adjusting the size of the nanochannel. The rejection rates of the nanofiltration membranes for the cationic dyes could reach more than 98%, and the membrane had perfect adsorption effect on anionic dyes. Similar to the grafted polyanion, the grafted polycation also formed a cross‐linked structure between the graphene nanosheets, thereby inhibiting the change of the nanochannels with the pH value to a certain extent. Polyionic nanofiltration membranes have excellent selectivity and could be widely used in the treatment of dye wastewater and other fields.
Comparison of different flame‐retardant agents for polylactic acid/fiber composites by a film‐stacking method: Flame‐retardant performance and mechanical properties
Authors: Zheng Ran , Chen Yajun , Cai Qixuan , Qian Lijun
Published: January 2024

In this investigation, characterization and comparison of the flame retardant performance were conducted for polylactic acid (PLA)/fiber composites featuring the incorporation of different flame retardants (APP, PAPP, and DMH). Based on the results obtained from the Limiting Oxygen Index (LOI) test and cone calorimeter test, it is evident that the intumescent flame retardants (IFR) such as APP and PAPP exhibit better efficacy on improving flame retardancy than DMH. The LOI value of the APP/PLA/F and PAPP/PLA/F composite reaches 35.5% and 27.4%, higher than that of DMH/PLA/F (23.0%). The pk‐HRR of APP/PLA/F and PAPP/PLA/F decreases 27% and 39% compared with PLA/F while the char residue at 500°C was higher than that of DMH/PLA/F (0.3 wt%) with the value of 51.4 and 44.1 wt%. It should be mentioned that the impact strength and tensile strength of PLA/fiber composite incorporating APP surpasses that of PAPP/PLA/F, which is caused by good dispersibility of fabrics among the PLA matrix, coupled with the strengthened interfacial adhesion between the fibers and the polylactic acid matrix. In summary, APP/PLA/F shows the most overall performance.

Highlights

Properties of PLA/fiber composites with various fire retardants were compared.

APP/PLA/F obtained the best overall property while DMH/PLA/F had the worst.

APP endows composites with excellent flame retardancy and mechanical property.

The LOI value of APP/PLA/F was 35.3%, highest among four composites.

Adding APP to PLA/F led to an increase in tensile strength and impact strength.
Synthesis and characterization of PEG/CS‐AgNO3 polymer nanocomposites for flexible optoelectronic and energy storage applications
Authors: Alsalmah Hessa A. , Rajeh A. , Farea M. O. , Nur Omer
Published: January 2024

The Polyethylene glycol (PEG) and Chitosan (CS)/silver nitrate (AgNO3) thin films were prepared by utilizing the casting technique to enhance their optical, dielectric, and electrical properties. Their physicochemical characteristics were investigated using a variety of techniques. The FT‐IR study demonstrates that the addition of AgNO3 NPs results in a discernible difference in the intensities and locations of vibrational peaks of all bands, supporting the incorporation of AgNO3NPs inside the PEG/CS. The XRD analysis indicates that the peak at 2θ = 23.1° broadens and strengthens proportionally with the increase of AgNO3 NPs. This observation suggests that the incorporation of AgNO3 NPs into PEG/CS results in a greater degree of amorphous characteristics compared to the PEG/CS blend. Additionally, when the amount of AgNO3 NPs increases in the PEG/CS, the energy band gap decreases, resulting in the creation of localized states between the valence and conduction bands. These polymer nanocomposite films' electrical conductivity, dielectric constant, and dielectric loss all increased with frequency increased and showed variance for various composite concentrations. These AgNO3NPs/PEG/CS films can be promising options for frequency‐tunable nanodielectrics, flexible dielectric substrates, and bandgap‐regulated materials for upcoming microelectronic, capacitive energy storage, and optoelectronic technologies, according to the experimental results.

Highlights

AgNO3NPs/PEG/CS nanocomposites films were obtained.

The optical properties of the prepared films were calculated.

Optical energy‐gap for prepared samples was reduced after adding AgNO3NPs.

The dielectric properties of the AgNO3NPs/PEG/CS films are improved.

AgNO3NPs/PEG/CS films were suggested to be used in energy storage devices.
Computational modeling and simulation of temperature field evolution during the chemical foaming of epoxy foams
Authors: Ding Yanyu , Qi Chaoqun , Chen Qifeng , Ge Heyi , Ren Baosheng , Liu Rui , Wang Guilong , Jia Yuxi
Published: January 2024

The evolution and control of the temperature field during the chemical foaming of epoxy resin are of paramount importance because the foam structure results from the competition of resin crosslinking and foaming, both of which are highly dependent on temperature distributions. Herein, the epoxy foams, consisting of diglycidyl ether of bisphenol A, glycidyl amine‐type epoxy resin, and 4,4′‐diamino diphenyl sulfone hardener, are prepared using azodicarbonamide and 4,4′‐oxydibenzenesulfonyl hydrazide as a chemical foaming agent (CFA). Kinetic models for heat release and CFA decomposition are established using the auto‐catalytic and n‐th order models, respectively. By integrating the transient flow of resin during the foaming process, numerical simulations of the temperature field evolution within the self‐expanding geometry are conducted to investigate the effects of foaming temperature, heat transfer coefficient, and mold diameter on spatial temperature distributions. A comparison of the kinetic parameters of epoxy curing and CFA decomposition at various foaming temperatures (433, 443, and 453 K) reveals that the acceleration of the curing rate is consistent with that of the decomposition rate as the foaming temperature increases, then the foam structure remains largely unchanged across different foaming temperatures. However, local overheating is unavoidable for the foams at 443 and 453 K. This study offers a method for optimizing the processing parameters in preparing epoxy foams.

Highlights

Auto‐catalytic model for predicting heat released rate is well established.

The decomposition kinetics of the chemical foaming agent is described by n‐th model.

Nonisothermal simulation is implemented to study the self‐expanded process of epoxy foam.

The foam structure is predicted by comparing the kinetic between the curing and expansion processes.
Fabrication of cucumber peel extract‐imbued dragon fruit peel pectin hydrogel packaging films: Assessment in preservation of chicken meat
Authors: Dalei Ganeswar , Jena Monalisa , Jena Debasis , Pattanaik Chiranjib , Das Bijnyan Ranjan , Das Subhraseema
Published: January 2024

With plastic packaging posing severe risk on ecosystem, there is a crucial need for the development of sustainable and eco‐friendly packaging materials for food preservation. This work aims to develop cucumber peel extract imbued into dragon fruit peel pectin films for meat packaging. The cucumber peel extract and dragon fruit peel pectin were obtained by via the environmentally benign microwave‐assisted method. Incorporation of cucumber peel extract led to an enhancement in the density and thickness of the pectin thin films. In addition to improving the tensile strength, antioxidant potential, and opacity of the films, the water‐barrier properties were also augmented. Trials on chicken meat indicated lower pH changes, weight loss, and total volatile basic nitrogen (TVB‐N) values during the refrigerated storage tenure. Thus, our work paves the path for the design of a sustainable packaging for meat and simultaneously addresses the valorization of fruit peel wastes.

Highlights

Dragon fruit peel pectin, cucumber peel extract obtained by microwave method.

Peel extract‐imbued pectin thin films were fabricated using polyethylene glycol (PEG) as plasticizer.

Addition of peel extract enhanced the density and opacity of films.

Films have good tensile strength, water‐barrier, and antioxidant properties.

Chicken meat packaging suggested lower pH, weight loss, and TVB‐N values.
Smartphone‐based colorimetric determination of some physicochemical properties of polyaniline on flexible cellulose substrate
Authors: Das Kaushik , Bhattacharya Pujan Sankar , Das Jayanta , Dasgupta Debadrita , Saha Biswajit
Published: January 2024

Polymer‐based materials are of high potential for application as active materials in contemporary electronic gadgets. The functionality of such materials is highly dependent on their oxidation state and requires fine control during their synthesis. Owing to that, we have designed a cost‐effective, simple, portable, system for calibration and the detection of the optical and electrical properties of polyaniline loaded on a paper substrate using a smartphone‐based colorimetric sensor. The vapor phase polymerization technique was adopted for preparing polyaniline. Colorimetric measurements of polyaniline‐loaded papers were achieved by estimating the hue, saturation and value (HSV) color parameter values using an open‐source smartphone application called “Color Grab (Color Detection)” during synthesis at different time intervals. The proposed sensor relies on the principle of Beer–Lambert law. The rear camera of the smartphone acts as a sensor and captures the light signal from the samples and provides information to the colorimetric app. The colorimetric results showed a promising correlation between the color parameter values with their electrical properties. The optical absorbance results of all polyaniline‐loaded papers are also in accordance with the H parameter values. The proposed sensor can be used as a portable smartphone‐based point‐of‐care testing kit to bring in‐situ control during synthesis.

Highlights

Conducting polymer on flexible cellulose substrate.

Smartphone‐based visual colorimetric sensor.

Biodegradable and environment‐friendly electronic material.

Variation of electrical properties in terms of hue values.

Cheap, portable sensor for point‐of‐care testing.
In silico prediction of preventive activities of bioactive hazelnut peptides against COVID‐19 and Monkeypox 2022
Authors: Güneş Zeynep Saliha , Çakır Bilal , Gülseren İbrahim
Published: January 2024

The coronavirus 2 (SARS‐CoV‐2), a positive‐sense RNA virus that causes severe acute respiratory illness, is the cause of Coronavirus Disease 2019 (COVID‐19) and Monkeypox is a zoonotic viral disease caused by a double‐strand enveloped DNA virus, a member of the Poxviridae family under the umbrella of the Orthopoxvirus genus. These viruses have harmed global health, societal stability, and global economy prompting the development of new therapeutic options. The purpose of this study was to analyze the potency of hazelnut‐derived bioactive peptides for usage in preventive measures against SARS‐CoV‐2 and Monkeypox infections. Since SARS‐CoV‐2 entry into the host cell takes place through angiotensin‐converting enzyme (ACE) receptors, an in silico attempt was made here to analyze the previously characterized ACE‐inhibitory hazelnut peptides for their anti‐COVID potential. First of all, peptide sequences with PeptideRanker values >0.5 were determined, where 43 of 256 hazelnut peptides met this condition. BIOPEP tools were used to calculate their ACE‐inhibitory characteristics. VPHW and DENPRHF demonstrated the strongest ACE‐inhibitory activity based on BIOPEP analysis. The binding potentials of VPHW (p < 0.001) and DENPRHF (p < 0.001) peptides to ACE were statistically significant based on PepSite2 analysis. The hazelnut‐derived peptides were docked with ACE, spike proteins, SARS‐CoV‐2 proteases, host cell receptors, and Monkeypox 2022 membrane proteins using HPEPDOCK and CABS‐dock. The in silico findings pointed out potential inhibition of SARS‐CoV‐2 main protease in the host cell and Monkeypox 2022 membrane protein and demonstration of multiple bioactivities.
Sequence effects on the thermal cis–trans isomerization of side‐chain stearate‐containing azobenzene polymers
Authors: Sahanawaz Md , Maity Manik Lal , Goswami Krishna Gopal , Sar Pintu , De Priyadarsi , Bandyopadhyay Subhajit
Published: January 2024

Photochromic azobenzenes undergo light‐mediated trans–cis isomerization. The cis isomer reverts to the trans isomer thermally. To investigate the effect of different monomer sequences on the thermal stability of cis‐azobenzene, a series of copolymers, namely, block, and random structures containing stearic acid and azobenzene moieties as their side chains have been synthesized through reversible addition–fragmentation chain transfer (RAFT) polymerization. In this study, we investigate the photoisomerization of the trans and cis forms of the polymers and also the thermal reversal of the cis‐azobenzene photochromic systems. The isomerization data revealed significant differences in the isomerization timescales between the polymers and the corresponding monomer. It was observed that the local polarity around the azobenzene units within a polymer was significantly influenced by the chain segment depending on whether it was in the vicinity of the hydrophobic alkyl chains or other azobenzene units. This local environment of the azobenzene units regulates the stabilization of the transition states during the cis–trans thermal isomerization, consequently affecting the half‐life of the cis isomer.
Trials and tribulations of Neotropical plant taxonomy: Pace of tree species description
Authors: Luján Manuel , Lemos Rosalinda Medina , Lucas Eve , Michelangeli Fabián A. , Prance Ghillean T. , Pennington Terry D. , Rzedowski Jerzy , Santamaría‐Aguilar Daniel , Serpell Ella , Sothers Cynthia A. , Zuntini Alexandre R.
Published: January 2024

Societal Impact Statement

Given the current unprecedented concerns for global biodiversity loss, it is critical to identify best practices for describing new species more efficiently so we can complete the inventory of the Neotropical flora and implement appropriate conservation strategies in a timely manner. This study aims to answer the question of how long it takes to describe a new species of tree in the Neotropics by calculating the time elapsed from collection of the first specimen to the publication of a new species. It demonstrates that enhancing international collaboration and promoting taxonomy training may be the most efficient ways to accelerate species descriptions.

One of the main aspects of taxonomic research is the description of new species. Identifying how to describe new species more efficiently is key to completing the inventory of the Neotropical flora in an era of massive biodiversity loss.

Here, we calculate the interval between first specimen collection and publication of new species for a group of 2123 Neotropical trees, and discuss the historical context surrounding specimen collection and new species publication events.

Our results reveal that on average, it takes almost 16 years from specimen collection to publication of a new Neotropical tree species, which is considerably shorter than previous estimates for other tropical groups. Peru had the longest average time lags by country, while Haiti had the shortest. The average time lags increased until the early 1900s, when a decrease was observed, with the shortest lags between 1941 and 1960.

We found that the majority of the species described more rapidly are from plants collected by a field botanist and described by a herbarium‐based researcher as part of ad hoc collaboration, and the ones collected and described by the same researcher. We demonstrate how political instability and conflict can delay or impede the completion of taxonomic research initiatives in the region. We argue that enhancing international collaboration and training opportunities in Latin American countries, as well as ensuring safe plant collection campaigns, are critical to complete the inventory of the Neotropical flora.
Integration of the cancer cell secretome and transcriptome reveals potential noninvasive diagnostic markers for bladder cancer
Authors: Chen Yi‐Ting , Tu Wei‐Ju , Ye Zong‐Han , Wu Chih‐Ching , Ueng Shir‐Hwa , Yu Kai‐Jie , Chen Chien‐Lun , Peng Pei‐Hua , Yu Jau‐Song , Chang Ying‐Hsu
Published: January 2024

Purpose

Bladder cancer (BLCA) is a major cancer of the genitourinary system. Although cystoscopy is the standard protocol for diagnosing BLCA clinically, this procedure is invasive and expensive. Several urine‐based markers for BLCA have been identified and investigated, but none has shown sufficient sensitivity and specificity. These observations underscore the importance of discovering novel BLCA biomarkers and developing a noninvasive method for detection of BLCA. Exploring the cancer secretome is a good starting point for the development of noninvasive biomarkers for cancer diagnosis.

Experimental Design

In this study, we established a comprehensive secretome dataset of five representative BLCA cell lines, BFTC905, TSGH8301, 5637, MGH‐U1, and MGH‐U4, by liquid chromatography‐tandem mass spectrometry (LC‐MS/MS). Expression of BLCA‐specific secreted proteins at the transcription level was evaluated using the Oncomine cancer microarray database.

Results

The expressions of four candidates—COMT, EWSR1, FUSIP1, and TNPO2—were further validated in clinical human specimens. Immunohistochemical analyses confirmed that transportin‐2 was highly expressed in tumor cells relative to adjacent noncancerous cells in clinical tissue specimens from BLCA patients, and was significantly elevated in BLCA urine compared with that in urine samples from aged‐matched hernia patients (controls).

Conclusions

Collectively, our findings suggest TNPO2 as a potential noninvasive tumor‐stage or grade discriminator for BLCA management.
Dissecting the geometric and hydrophobic constraints of stapled peptides
Authors: Li Jianguo , Tan Yaw Sing , Verma Chandra S
Published: January 2024

Stapled peptides are a promising class of molecules with potential as highly specific probes of protein–protein interactions and as therapeutics. Hydrocarbon stapling affects the peptide properties through the interplay of two factors: enhancing the overall hydrophobicity and constraining the conformational flexibility. By constructing a series of virtual peptides, we study the role of each factor in modulating the structural properties of a hydrocarbon‐stapled peptide PM2, which has been shown to enter cells, engage its target Mouse Double Minute 2 (MDM2), and activate p53. Hamiltonian replica exchange molecular dynamics (HREMD) simulations suggest that hydrocarbon stapling favors helical populations of PM2 through a combination of the geometric constraints and the enhanced hydrophobicity of the peptide. To further understand the conformational landscape of the stapled peptides along the binding pathway, we performed HREMD simulations by restraining the peptide at different distances from MDM2. When the peptide approaches MDM2, the binding pocket undergoes dehydration which appears to be greater in the presence of the stapled peptide compared with the linear peptide. In the binding pocket, the helicity of the stapled peptide is increased due to the favorable interactions between the peptide residues as well as the staple and the microenvironment of the binding pocket, contributing to enhanced affinity. The dissection of the multifaceted mechanism of hydrocarbon stapling into individual factors not only deepens fundamental understanding of peptide stapling, but also provides guidelines for the design of new stapled peptides.
CD39 is Expressed by a Wide Range of Cutaneous T-Cell Lymphomas
Authors: Battesti Gilles , Thonnart Nicolas , Bozonnat Alizée , Ram-Wolff Caroline , de Masson Adèle , Bensussan Armand , Bagot Martine , Marie-Cardine Anne , Battistella Maxime
Published: January 2024

CD39, an ectoenzyme in the immunosuppressive CD39/CD73/adenosine pathway, known to promote solid tumour outgrowth and spreading, was investigated in both skin and blood compartments of cutaneous T cell lymphomas. CD39 was overexpressed by peripheral blood T-cells in Sezary syndrome and mycosis fungoides, and in skin-infiltrating lymphocytes of Sezary syndrome, mycosis fungoides, subcutaneous panniculitis-like T-cell lymphoma and primary cutaneous CD30-positive lymphoproliferation. Our study emphasizes the interest in using CD39/CD73/adenosine pathway blocking agents for cutaneous T cell lymphomas treatment.
Alloy/Perovskite Compounds Modified by Plasma Treatment and their Role in Enhancing the Capacitance of Sustainable Graphene Supercapacitors
Authors: Mendoza Ricardo , Floriano‐Limón Claudia , Esquivel‐Castro Tzipatly , Mtz‐Enriquez Arturo , Padmadas Padmasree , Perez‐Mayen Leonardo , Flores‐Zúñiga Horacio , Oliva Jorge
Published: January 2024

Graphene electrodes were firstly printed on recycled single‐use‐packets. Later, the Ni50Mn35In15 (NMI) alloy or Ca2.9Nd0.1Co3.9Cu0.1O9, (CNCCO) misfit perovskite was deposited on the graphene electrodes to enhance their capacitive performance. Next, flexible supercapacitors (SCs) were assembled by using such electrodes. The SCs made with NMI and CNCCO powders were named as GNMI‐SC, and GCNCCO‐SC, respectively. Those ones produced capacitances/energy‐densities of 761.8 F g−1/152.6 Wh kg−1 and 207.7 F g−1/41.6 Wh kg−1, respectively. Subsequently, a mixture 1 : 1 of NMI and CNCCO powders was melted/coalesced at 1700 °C by using a plasma treatment in argon atmosphere and obtained in this way a NMI/CNCCO composite powder. The SC made with this last composite generated a capacitance/energy‐density of 1235.2 F g−1/247.3 Wh kg−1. Those last values are 62–500 % higher than these for the GNMI‐SC, and GCNCCO‐SC devices. Other benefits obtained after the introduction of the NMI/CNCCO powders into the SCs were: 1) the formation of additional Cu2+, Mn4+, Nd2+ and In3+ species, which enhanced the capacitance; 2) the capacitance retention was maintained above 93 % after 500 cycles of charge discharge; and 3) the lowest values of series and charge transfer resistances were obtained, which favored the ion diffusion/storage in the SC electrodes.
Procedure Optimization for Green Synthesis of Magnetic‐Copper Nanoparticles by Aqueous Alcea Medicinal Plant Extract and Their Photocatalytic Properties
Authors: Abdirad Niloufar , Kamran‐Pirzaman Arash
Published: January 2024

In this research, the biosynthesis method was used for Fe3O4/CuO core‐shell nanocomposite using by aqueous Alcea medicinal plant extract, which aimed to synthesize antibacterial substances against common resistant bacteria. Antibacterial effects of various samples synthesized in different concentrations were evaluated against gram‐positive and negative bacteria in Mueller Hilton agar culture medium. The photocatalytic properties were carried out in a period of 140 minutes, and the maximum effect of the sample was 76 % in 100 minutes. FTIR, SEM, EDX and XRD tests confirmed the correct to design the experiment. synthesis of the nanocomposite with an average size of 38 nm and a surface charge of 23.1 mV. To obtain the best and most effective conditions for the synthesis of antibacterial nanoparticles, the CCD method was used. The main purpose of this research work is to use a medicinal plant as a reducer in the synthesis of metal composite nanoparticles, which plant itself has healing and antimicrobial properties in traditional medical science.
Long‐Range Uniform Deposition of Ag Nanoseed on Cu Current Collector for High‐Performance Lithium Metal Batteries
Authors: Kim Ju Ye , Chae Oh B. , Kim Gukbo , Peterson Andrew A. , Wu Mihye , Jung Hee‐Tae
Published: January 2024

Uniform lithium deposition is essential to hinder dendritic growth. Achieving this demands even seed material distribution across the electrode, posing challenges in correlating the electrode's surface structure with the uniformity of seed material distribution. In this study, the effect of periodic surface and facet orientation on seed distribution is investigated using a model system consisting of a wrinkled copper (Cu)/graphene structure with a [100] facet orientation. A new methodology is developed for uniformly distributed silver (Ag) nanoparticles over a large area by controlling the surface features of Cu substrates. The regularly arranged Ag nanoparticles, with a diameter of 26.4 nm, are fabricated by controlling the Cu surface condition as [100]‐oriented wrinkled Cu. The wrinkled Cu guides a deposition site for spherical Ag nanoparticles, the [100] facet determines the Ag morphology, and the presence of graphene leads to spacings of Ag seeds. This patterned surface and high lithiophilicity, with homogeneously distributed Ag nanoparticles, lead to uniform Li+ flux and reduced nucleation energy barrier, resulting in excellent battery performance. The electrochemical measurements exhibit improved cyclic stability over 260 cycles at 0.5 mA cm−2 and 100 cycles at 1.0 mA cm−2 and enhanced kinetics even under a high current density of 5.0 mA cm−2.
High‐Performance 3D Stacked Micro All‐Solid‐State Thin‐Film Lithium‐Ion Batteries Based on the Stress‐Compensation Effect
Authors: Wu Xinru , Wang Lihao , Gu Wenqin , Wang Jian , Zhuang Yonghe , Sun Hanzi , Liu Junfu , Wang Chao , Shi Nian , Huang Xiaodong
Published: January 2024

A novel all‐solid‐state thin‐film lithium‐ion battery (LIB) is presented to address the trade‐off issue between the specific capacity and stabilities in a conventional LIB. Different from the conventional one, this LIB device consists of two same LIB components located at the front and back surfaces of the substrate, respectively. These two LIB components form parallel connection by using the conductive through vias distributed in the substrate. Compared with the conventional one, this LIB device doubles the areal specific capacity. More importantly, due to the stress‐compensation effect, this device effectively suppresses the stress induced by its volume changes resulting from the lithiation/delithiation processes and thermal expansion. Consequently, this device shows good cycling and thermal stabilities even when working at an industrial‐grade high temperature of 125 °C. To further improve the specific capacity without sacrificing the stabilities, a 3D stacked LIB is successfully realized by using this LIB device as the cell, in which each cell is parallelly connected by using the above‐mentioned conductive through vias. This 3D stacked LIB is experimentally demonstrated to obtain high specific capacity (79.9 µAh cm−2) and good stabilities (69.3% of retained capacity after 100 cycles at 125 °C) simultaneously.