bluuebunny/crossref_metadata_2025 huggingface dataset:
Covalently Functionalized Leakage‐Free Healable Phase‐Change Interface Materials with Extraordinary High‐Thermal Conductivity and Low‐Thermal Resistance
Authors: Abdul Jaleel Shabas Ahammed , Kim Taehun , Baik Seunghyun
Published: April 2023

Phase‐change materials (PCMs) have received considerable attention to take advantage of both pad‐type and grease‐type thermal interface materials (TIMs). However, the critical drawbacks of leaking, non‐recyclability, and low thermal conductivity (κ) hinder industrial applications of PCM TIMs. Here, leakage‐free healable PCM TIMs with extraordinarily highκand low total thermal resistance (Rt) are reported. The matrix material (OP) is synthesized by covalently functionalizing octadecanol PCM with polyethylene‐co‐methyl acrylate‐co‐glycidyl methacrylate polymer through the nucleophilic epoxy ring opening reaction. The OP changes from semicrystalline to amorphous above the phase‐transition temperature, preventing leaking. The hydrogen‐bond‐forming functional groups in OP enable nearly perfect healing efficiencies in tensile strength (99.7%),κ(97.0%), andRt(97.4%). Elaborately designed thermally conductive fillers, silver flakes and multiwalled carbon nanotubes decorated with silver nanoparticles (nAgMWNTs), are additionally introduced in the OP matrix (OP‐Ag‐nAgMWNT). The nAgMWNTs bridge silver‐flake islands, resulting in extraordinarily highκ(43.4 W m−1 K−1) and lowRt(30.5 mm2 K W−1) compared with PCM TIMs in the literature. Excellent heat dissipation and recycling demonstration of the OP‐Ag‐nAgMWNT is also carried out using a computer graphic processing unit. The OP‐Ag‐nAgMWNT is a promising future TIM for thermal management of mechanical and electrical devices.
Dynamic Motions of Topological Defects in Nematic Liquid Crystals under Spatial Confinement
Authors: Pawale Tejal , Swain Justin , Hashemi Mohammad Reza , Tierra Giordano , Li Xiao
Published: April 2023

Topological defects (TDs) have become a sensational topic due to their significant influence on the unusual optical and physiochemical characteristics of the material. To facilitate their application across a wide range of disciplines it is desirable to analyze and gain fundamental understanding of TDs in both equilibrium and nonequilibrium systems. Liquid crystals (LCs) are considered an ideal system for study given the direct visualization of TDs and a straightforward analyzation process. In addition to the equilibrium morphology of LC TDs, it is also of great interest to track and control the formation and annihilation of defects during thermodynamic processes. However, controlling the dynamic behavior of formed defects remains a challenge. Here, nematic LCs confined in a cell exhibiting surfaces with periodic anchoring conditions containing surface topography are relied on. The effects of patterned surface characteristics such as width, periodicity, and degree of curvature on defects dynamic motion, stabilization, and annihilation are explored. The computational experiments recapitulate the TDs transition path and provide free energy‐based predictions of critical distances for defect annihilation. Taken together, this simple approach offers a promising opportunity to control the dynamics of TDs in LCs through chemical patterned surfaces with topography.
Intriguing Optical Properties due to the Intermolecular Interaction between AIE and ACQ Materials
Authors: Gong Zhichao , Rong Xuejiao , Sui Guomin , Jiang Xu , Xu Mengya , Wang Chenyu , Meng Shuxian
Published: April 2023

To take advantage of the respective strengths of aggregation‐induced emission (AIE) and aggregation‐caused quenching (ACQ) materials, in this paper a unique approach is taken which is that tetraphenylethene and triphenylamine (classical AIEs), borondipyrromethene and benzothiadiazole (classical ACQs) are selected to construct AIE@ACQ bimolecular systems by simple compounding method, focusing on the effects on optical properties such as fluorescence, photothermal therapy, phosphorescence, and photodynamic therapy. Above all, the mechanisms and laws of the system are preliminarily found. First, AIEs and ACQs must, respectively, have electron‐acceptor and electron‐donors to form an intermolecular push–pull structure to ensure that the two molecules are close to each other, and intermolecular π–π stacking interaction separates the highest occupied molecular orbitals and lowest unoccupied molecular orbitals to reduce ΔEst, causing intriguing optical properties. Second, the matching degree of the conjugate structure between AIEs and ACQs is also an important factor. Utilizing these systems, it is found that different structural compositions possess different optical synergy properties, so different AIE@ACQ bimolecular systems can be constructed according to the actual needs, which have the advantages of efficiency and convenience, providing a new idea for the united application of AIEs and ACQs.
Intracellular Adhesion Molecule‐1 Improves Responsiveness to Immune Checkpoint Inhibitor by Activating CD8+ T Cells
Authors: Lee Se‐Hoon , Kim Yeongmin , Jeon Bu‐Nam , Kim Gihyeon , Sohn Jinyoung , Yoon Youngmin , Kim Sujeong , Kim Yunjae , Kim Hyemin , Cha Hongui , Lee Na‐Eun , Yang Hyunsuk , Chung Joo‐Yeon , Jeong A‐Reum , Kim Yun Yeon , Kim Sang Gyun , Seo Yeonhee , Park Sehhoon , Jung Hyun Ae , Sun Jong‐Mu , Ahn Jin Seok , Ahn Myung‐Ju , Park Hansoo , Yoon Kyoung Wan
Published: April 2023

Immune checkpoint inhibitor (ICI) clinically benefits cancer treatment. However, the ICI responses are only achieved in a subset of patients, and the underlying mechanisms of the limited response remain unclear. 160 patients with non‐small cell lung cancer treated with anti‐programmed cell death protein‐1 (anti‐PD‐1) or anti‐programmed death ligand‐1 (anti‐PD‐L1) are analyzed to understand the early determinants of response to ICI. It is observed that high levels of intracellular adhesion molecule‐1 (ICAM‐1) in tumors and plasma of patients are associated with prolonged survival. Further reverse translational studies using murine syngeneic tumor models reveal that soluble ICAM‐1 (sICAM‐1) is a key molecule that increases the efficacy of anti‐PD‐1 via activation of cytotoxic T cells. Moreover, chemokine (CXC motif) ligand 13 (CXCL13) in tumors and plasma is correlated with the level of ICAM‐1 and ICI efficacy, suggesting that CXCL13 might be involved in the ICAM‐1‐mediated anti‐tumor pathway. Using sICAM‐1 alone and in combination with anti‐PD‐1 enhances anti‐tumor efficacy in anti‐PD‐1‐responsive tumors in murine models. Notably, combinatorial therapy with sICAM‐1 and anti‐PD‐1 converts anti‐PD‐1‐resistant tumors to responsive ones in a preclinical study. These findings provide a new immunotherapeutic strategy for treating cancers using ICAM‐1.
Tumor‐Associated Macrophage‐Derived Exosomal LINC01232 Induces the Immune Escape in Glioma by Decreasing Surface MHC‐I Expression
Authors: Li Junjun , Wang Keshan , Yang Chao , Zhu Kai , Jiang Cheng , Wang Minjie , Zhou Zijie , Tang Nan , Wang Qiangping , Wang Siqi , Shu Pengwei , Yuan Hongliang , Xiong Zhiyong , Li Jinsong , Liang Tao , Rao Jin , Wang Xuan , Jiang Xiaobing
Published: April 2023

Tumor‐associated macrophage (TAM) infiltration facilitates glioma malignancy, but the underlying mechanisms remain unclear. Herein, it is reported that TAMs secrete exosomal LINC01232 to induce tumor immune escape. Mechanistically, LINC01232 is found to directly bind E2F2 and promote E2F2 entry into the nucleus; the two synergistically promots the transcription of NBR1. The increase in binding between NBR1 binding and the ubiquitinating MHC‐I protein through the ubiquitin domain causes an increase in the degradation of MHC‐I in autophagolysosomes and a decrease in the expression of MHC‐I on the surface of tumor cells, which in turn led to tumor cell escape from CD8+ CTL immune attack. Disruption of E2F2/NBR1/MHC‐I signaling with shRNAs or blockade with the corresponding antibodies largely abolishes the tumor‐supportive effects of LINC01232 and inhibits tumor growth driven by M2‐type macrophages. Importantly, knockdown of LINC01232 enhances the expression of MHC‐I on the surface of tumor cells and improves the response to reinfusion with CD8+ T cells. This study reveals the existence of critical molecular crosstalk between TAMs and glioma mediates through the LINC01232/E2F2/NBR1/MHC‐I axis to support malignant tumor growth, indicating that targeting this axis may have therapeutic potential.
Bone Lesion‐Derived Extracellular Vesicles Fuel Prometastatic Cascades in Hepatocellular Carcinoma by Transferring ALKBH5‐Targeting miR‐3190‐5p
Authors: Han Shenqi , Xue Lin , Wei Yi , Yong Tuying , Jia Wenlong , Qi Yongqiang , Luo Yiming , Liang Junnan , Wen Jingyuan , Bie Nana , Liang Huifang , Liu Qiumeng , Ding Zeyang , Yang Xiangliang , Gan Lu , Huang Zhao , Chen Xiaoping , Zhang Bixiang
Published: April 2023

Bone is the second leading metastatic site for hepatocellular carcinoma (HCC). Patients with HCC and bone metastasis suffer poor quality of life and reduced survival time. Extracellular vesicles (EVs) are widely involved in HCC formation and metastasis. However, the communication between primary HCC and bone lesions mediated by EVs remains unclear and the possible effect of bone metastasis on the progression of HCC remains largely unknown. Here, bone‐metastasized HCC‐derived EVs (BM‐EVs) are found to localize to orthotropic HCC cells and promote HCC progression. Mechanistically, miR‐3190‐5p (miR‐3190) is upregulated in intracellular HCC cells isolated from bone lesions as well as in their derived EVs. miR‐3190 in BM‐EVs is transferred into orthotopic tumor cells and enhances their metastatic capacity by downregulating AlkB homolog 5 (ALKBH5) expression. Decreased level of ALKBH5 exacerbates the prometastatic characteristics of HCC by modulating gene expression in N6‐methyladenosine‐dependent and ‐independent ways. Finally, antagomir‐miR‐3190‐loaded liposomes with HCC affinity successfully suppress HCC progression in mice treated with BM‐EVs. These findings reveal that BM‐EVs initiate prometastatic cascades in orthotopic HCC by transferring ALKBH5‐targeting miR‐3190 and miR‐3190 is serving as a promising therapeutic target for inhibiting the progression of HCC in patients with bone metastasis.
Demand analysis with structural changes: Model and application to the US blueberry market
Authors: Soto‐Caro Ariel , Wu Feng , Xia Tian , Guan Zhengfei
Published: April 2023

This study proposes a generalized demand system accommodating structural changes endogenously and examines how increasing imports affect blueberry prices and shipment values in the US market. Specifically, we integrate a smooth transformation function into the nested synthetic inverse demand system model (SIDS). We show that the proposed approach performs better than the standard SIDS in the context of structural changes in imports in the US blueberry market. As the largest blueberry producer in the world, the United States has supplied half of the world's blueberries over the past decade. Imported blueberries from South American countries do not have large impacts on the US blueberry industry due to the difference in production seasons. But the fast‐growing imports from Mexico have had great impacts on the US market. Our simulation shows that a 100% increase in Mexican blueberry shipments will result in a loss of $20 million in US domestic production. [EconLit Citations: Q11, Q17].
An inverse mapping approach for process systems engineering using automatic differentiation and the implicit function theorem
Authors: Alves Victor , Kitchin John R. , Lima Fernando V.
Published: April 2023

The objective in this work is to propose a novel approach for solving inverse problems from the output space to the input space using automatic differentiation coupled with the implicit function theorem and a path integration scheme. A common way of solving inverse problems in process systems engineering (PSE) and in science, technology, engineering and mathematics (STEM) in general is using nonlinear programming (NLP) tools, which may become computationally expensive when both the underlying process model complexity and dimensionality increase. The proposed approach takes advantage of recent advances in robust automatic differentiation packages to calculate the input space region by integration of governing differential equations of a given process. Such calculations are performed based on an initial starting point from the output space and are capable of maintaining accuracy and reducing computational time when compared to using NLP‐based approaches to obtain the inverse mapping. Two nonlinear case studies, namely a continuous stirred tank reactor (CSTR) and a membrane reactor for conversion of natural gas to value‐added chemicals are addressed using the proposed approach and compared against: (i) extensive (brute‐force) search for forward mapping and (ii) using NLP solvers for obtaining the inverse mapping. The obtained results show that the novel approach is in agreement with the typical approaches, while computational time and complexity are considerably reduced, indicating that a new direction for solving inverse problems is developed in this work.
Diazoalkenes: From an Elusive Intermediate to a Stable Substance Class in Organic Chemistry
Authors: Hansmann Max M.
Published: April 2023

Over decades diazoalkenes (R2C=C=N2) were postulated as reactive intermediates in organic chemistry even though their direct spectroscopic detection proved very challenging. In the 1970/80ies several groups probed their existence mainly indirectly by trapping experiments or directly by matrix‐isolation studies. In 2021, our group and the Severin group reported independently the synthesis and characterization of the first room‐temperature stable diazoalkenes, which initiated a rapidly expanding research field. Up to now four different classes of N‐heterocyclic substituted room‐temperature stable diazoalkenes have been reported. Their properties and unique reactivity, such as N2/CO exchange or utilization as vinylidene precursors in organic and transition metal chemistry are presented. This review summarizes the early discoveries of diazoalkenes from their initial postulation as transient, elusive species up to the recent findings of the room‐temperature stable derivatives.
Mechanical properties of epoxy resin composites modified by epoxy styrene‐butadiene latex
Authors: Niu Chunmei , Du Kaipeng , Xu Zheng , Li Zhiqiang , Li Tiantian , Wang Ruolin
Published: April 2023

To improve toughness, crack resistance, and other mechanical properties of cured epoxy resins (EP), styrene‐butadiene rubbers (SBR) with epoxy groups named as ESBR were fabricated by emulsion polymerization and directly blending with EP in form of latex to make EP/rubber composites. Dispersity and compatibility of ESBR in epoxy resin were significantly improved. The results showed that impact strength for epoxy resin composite was up to 35.28 KJ/m2 when 8 phr ESBR with epoxy degree of 11% (ESBR‐11) was added, which was 127% higher than that of pure EP (15.18 KJ/m2). Toughness, bending strength, and tensile strength were simultaneously improved when the addition amount for ESBR‐11 was 2 phr. Compared with EP modified by SBR latex, butadiene vinyl‐pyridine rubber latex, carboxylate styrene‐butadiene latex and ESBR dissolved in chloroform, ESBR latex can significantly enhance mechanical properties of EP due to the uniform dispersion, good compatibility and strong chemical bonding between components.
Cell Type–Specific Biomarkers of Systemic Sclerosis Disease Severity Capture Cell‐Intrinsic and Cell‐Extrinsic Circuits
Authors: Berkowitz Jacob S. , Tabib Tracy , Xiao Hanxi , Sadej Gabrielle M. , Khanna Dinesh , Fuschiotti Patrizia , Lafyatis Robert A. , Das Jishnu
Published: April 2023

Objective

Systemic sclerosis (SSc) is a multifactorial autoimmune fibrotic disorder involving complex rewiring of cell‐intrinsic and cell‐extrinsic signaling coexpression networks involving a range of cell types. However, the rewired circuits as well as corresponding cell–cell interactions remain poorly understood. To address this, we used a predictive machine learning framework to analyze single‐cell RNA‐sequencing data from 24 SSc patients across the severity spectrum as quantified by the modified Rodnan skin score (MRSS).

Methods

We used a least absolute shrinkage and selection operator (LASSO)–based predictive machine learning approach on the single‐cell RNA‐sequencing data set to identify predictive biomarkers of SSc severity, both across and within cell types. The use of L1 regularization helps prevent overfitting on high‐dimensional data. Correlation network analyses were coupled to the LASSO model to identify cell‐intrinsic and cell‐extrinsic co‐correlates of the identified biomarkers of SSc severity.

Results

We found that the uncovered cell type–specific predictive biomarkers of MRSS included previously implicated genes in fibroblast and myeloid cell subsets (e.g., SFPR2+ fibroblasts and monocytes), as well as novel gene biomarkers of MRSS, especially in keratinocytes. Correlation network analyses revealed novel cross‐talk between immune pathways and implicated keratinocytes in addition to fibroblast and myeloid cells as key cell types involved in SSc pathogenesis. We then validated the uncovered association of key gene expression and protein markers in keratinocytes, KRT6A and S100A8, with SSc skin disease severity.

Conclusion

Our global systems analyses reveal previously uncharacterized cell‐intrinsic and cell‐extrinsic signaling coexpression networks underlying SSc severity that involve keratinocytes, myeloid cells, and fibroblasts.

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Cytosolic protein delivery using ultrasound‐guided vaporization of perfluorocarbon nano‐droplets
Authors: Yamaguchi Satoshi , Kisaka Miho , Higashi Kotaro , Ishijima Ayumu , Azuma Takashi , Nakagawa Keiichi , Shibasaki Yoshikazu , Sakuma Ichiro , Okamoto Akimitsu
Published: April 2023

Ultrasound‐guided protein delivery is promising for site‐specific control of cellular functions in the deep interior of the body in a noninvasive manner. Herein, we propose a method for cytosolic protein delivery based on ultrasound‐guided intracellular vaporization of perfluorocarbon nano‐droplets. The nano‐droplets were conjugated with cargo proteins through a bio‐reductively cleavable linker and introduced into living cells via antibody‐mediated binding to a cell‐surface receptor, which gets internalized through endocytosis. After the cells were exposed to ultrasound for endosomal escape of proteins, the ultrasound‐responsive cytosolic release of a cargo enzyme was confirmed by visualizing the hydrolysis of the fluorogenic substrate using confocal microscopy. Moreover, a significant decrease in cell viability was achieved via the release of a cytotoxic protein in response to ultrasound treatment. The results of this study provide the proof of a principle that protein‐conjugated nano‐droplets can be used as carriers in ultrasound‐guided cytosolic delivery of proteins.
Addressing amino acid‐derived inhibitory metabolites and enhancing CHO cell culture performance through DOE‐guided media modifications
Authors: Ladiwala Pranay , Dhara Venkata Gayatri , Jenkins Jackson , Kuang Bingyu , Hoang Duc , Yoon Seongkyu , Betenbaugh Michael J.
Published: April 2023

Previously, we identified six inhibitory metabolites (IMs) accumulating in Chinese hamster ovary (CHO) cultures using AMBIC 1.0 community reference medium that negatively impacted culture performance. The goal of the current study was to modify the medium to control IM accumulation through design of experiments (DOE). Initial over‐supplementation of precursor amino acids (AAs) by 100% to 200% in the culture medium revealed positive correlations between initial AA concentrations and IM levels. A screening design identified 5 AA targets, Lys, Ile, Trp, Leu, Arg, as key contributors to IMs. Response surface design analysis was used to reduce initial AA levels between 13% and 33%, and these were then evaluated in batch and fed‐batch cultures. Lowering AAs in basal and feed medium and reducing feed rate from 10% to 5% reduced inhibitory metabolites HICA and NAP by up to 50%, MSA by 30%, and CMP by 15%. These reductions were accompanied by a 13% to 40% improvement in peak viable cell densities and 7% to 50% enhancement in IgG production in batch and fed‐batch processes, respectively. This study demonstrates the value of tuning specific AA levels in reference basal and feed media using statistical design methodologies to lower problematic IMs.
Effects of SMC1A on immune microenvironment and cancer stem cells in colon adenocarcinoma
Authors: Li Jin , Zhou Qian , Liu Li , He Jingdong
Published: April 2023

Background

Our previous study suggested that SMC1 has significant functions in colorectal cancer (CRC). However, few reports have shown the effects of structural maintenance of chromosomes 1 (SMC1A) on the immune microenvironment and tumor stem cells.

Methods

The Cancer Genome Atlas (TCGA) database, CPTAC database, Human Protein Atlas (HPA) database, the Cancer Cell Line Encyclopedia (CCLE) and Tumor Immune Single‐cell Hub were used. Flow cytometry and immunohistochemical analysis were checked for immune infiltration on MC38 mice model. Human CRC tissues were tested with RT‐qPCR.

Results

The mRNA and protein levels of SMC1A were increased in colon adenocarcinoma (COAD) samples. SMC1A was associated with DNA activity. Interestingly, SMC1A was highly expressed in many types of immune cells at single‐cell levels. Moreover, the high expression of SMC1A was positively correlated with immune infiltration, and immunohistochemical analysis showed that SMC1A was positively associated with CD45 expression in MC38 mice model. Also, the percentage of IL4+CD4+ T cells (Th2) and FoxP3+CD4+ T cells (Tregs) was significantly higher in the SMC1A overexpression group than in control by flow cytometry assay in vivo. SMC1A expression could affect the proliferation of T cells in the mice model. The mutation and somatic cell copy number variation (SCNV) of SMC1A were also associated with immune cell infiltration. In addition to SMC1A in the “hot” T‐cell inflammatory microenvironment of colon cancer, SMC1A also positively correlates with the immune checkpoint genes CD274, CTLA4, and PDCD1 in colon adenocarcinoma (COAD) samples. Furthermore, we also found that SMC1A plays a positive correlation with the induction of cancer stem cells (CSCs). Our results also showed that miR‐23b‐3p binds SMC1A.

Conclusion

SMC1A may be a bidirectional target switch that simultaneously regulates the immune microenvironment and tumor stem cells. Moreover, SMC1A may be a biomarker for the prediction of immune checkpoint inhibitor (ICI) therapy.
Enhancing mental health and well‐being outcomes for psychotherapy and counselling through idiographic analysis: A four‐quadrant approach
Authors: Jacob Jenna , Rae John P. , Allegranti Beatrice , Duncan Charlie , Cooper Mick
Published: April 2023

Mental health and well‐being outcomes in psychotherapy and counselling have largely been studied through the use of standardised nomothetic measurement. A key limitation is that nomothetic measurement and current statistical analyses do not necessarily capture the outcomes of the complicated and individual psychotherapy processes. There is an increased interest in the use of idiographic patient‐reported outcome measures (I‐PROMs), which are uniquely useful because they may explore areas of importance that are unexplored by nomothetic outcome measures. We argue that to optimise the value of I‐PROMs, it is necessary to consider their contribution alongside standardised nomothetic measures. However, there are important considerations with respect to whether or not I‐PROMs from different clients, or indeed from the same client, can be meaningfully explored at a team/service level, and alongside standardised nomothetic outcomes. We provide worked examples on real client data to show that delineating four quadrants of analysis is important to explore the breadth of information: (a) individual progress on single items, (b) individual progress by aggregated scores, (c) team/service‐level progress by goal item/theme and (d) team/service‐level progress by aggregated scores.
Effects of payment notifications on consumer purchase decisions: The role of pain of payment
Authors: Gu Yu , Chen Rong
Published: April 2023

Payment notifications are becoming ubiquitous due to the popularity of online payment, which are usually considered to be records of consumption. However, the effect of payment notifications on consumer behavior has not been fully understood. Given this research void, this study explores the effects of payment notifications on consumers' consumption amount during a multiple‐purchase shopping journey. Considering the prevalence of online payment in China, we conducted four experiments using Chinese samples. The results confirm that payment notifications can evoke consumers' pain of payment, which consequently reduces consumers' subsequent shopping amount. Additionally, we argue that the effects of payment notifications on consumer behavior are different in the early/late stage of the shopping journey or in the gift‐purchasing/self‐purchasing conditions. The findings of this article could help payment application developers to better design payment notification functions.
Subcritical Water Extraction of Phenolic Compounds from Vaccinium Dunalianum Wight Leaves and Their Antioxidant and Tyrosinase Inhibitory Activities in Vitro
Authors: Yang Xiaoqin , Wang Wenbo , Jiang Qian , Xie Sida , Zhao Ping , Liu Zhen , Zhu Guolei , Xu Junming , Wang Jieyu , Li Yonghe
Published: April 2023

Subcritical water extraction was used to extract bioactive phenolic compounds from Vaccinium dunalianum Wight leaves. The optimal extraction conditions were determined as an extraction temperature of 150 °C, an extraction time of 40 min, and a liquid‐solid ratio of 35 : 1 mL/g. The total phenolic content reached 21.35 mg gallic acid /g, which was 16 % higher than that by hot water extraction. The subcritical water extraction extract exhibited strong scavenging activity of DPPH free radical and ABTS+ free radical, as well as significant tyrosinase inhibitory activity. The study suggests that subcritical water extraction can alter the composition of the extracts, leading to the production of various phenolic compounds, effective antioxidants, and tyrosinase inhibitors from Vaccinium dulciana Wight leaves. These findings confirm the potential of Vaccinium dunalianum Wight as a natural antioxidant molecule source for the medicine and food industries, and for the therapy of skin pigmentation disorders.
New Indole Diketopiperazine Alkaloids from Soft Coral‐Associated Epiphytic Fungus Aspergillus versicolor CGF 9‐1‐2
Authors: Hu Jin‐Shan , He Yu‐Pei , Zhou Feng‐Guo , Wu Ping‐Ping , Chen Le‐Yi , Ni Cheng , Zhang Ze‐Kun , Xiao Xi‐Ji , An Lin‐Kun , He Xi‐Xin , Zhang Cui‐Xian
Published: April 2023

Two new indole diketopiperazine alkaloids (IDAs), (+)19‐epi‐sclerotiamide (1) and (−)19‐epi‐sclerotiamide (2), along with 13 known analogs (3–15), were isolated from a soft coral‐associated epiphytic fungus Aspergillus versicolor CGF 9‐1‐2. The structures of two new compounds were established based on the combination of HR‐ESI‐MS, 1D and 2D NMR spectroscopy, optical rotation measurements and quantum chemical 13C‐NMR, the absolute configurations were determined by experimental and electronic circular dichroism (ECD) calculations. The results of molecular docking showed that all the compounds had a good binding with TDP1, TDP2, TOP1, TOP2, Ache, NLRP3, EGFR, EGFR L858R, EGFR T790M and EGFR T790/L858. Biological evaluation of compounds 3, 6, 8, 11 showed that 3 exerted a strong inhibitory effect on TDP2 with a rate of 81.72 %.
Prevalence of familial hypercholesterolemia and its association with coronary artery disease: A Chinese cohort study
Authors: Aihaiti Xiapikatijiang , Chen Shufeng , Li Jianxin , Lin Zhennan , Cui Qingmei , Xia Xue , Liu Fangchao , Shen Chong , Hu Dongsheng , Huang Keyong , Zhao Yingxin , Lu Fanghong , Liu Xiaoqing , Cao Jie , Yu Ling , Li Ying , Zhang Huan , Fu Zhenyan , Zhao Liancheng , Huang Jianfeng , Gu Dongfeng , Lu Xiangfeng
Published: April 2023

Background

Familial hypercholesterolemia (FH) is underrecognized, and its association with coronary artery disease (CAD) remains limited, especially in China. We aimed to investigate the prevalence of FH and its relationship with CAD in a large Chinese cohort.

Methods

FH was defined using the Make Early Diagnosis to Prevent Early Death (MEDPED) criteria. The crude and age‐sex standardized prevalence of FH were calculated based on surveys of the Prediction for Atherosclerotic Cardiovascular Disease Risk in China (China‐PAR) project during 2007−2008. The associations of FH with incident CAD and its major subtypes were estimated with the cohort‐stratified multivariate Cox proportional hazard models based on the data from the baseline to the last follow‐up (2018−2020).

Results

Among 98,885 included participants, 190 participants were defined as FH. Crude and age−sex standardized prevalence and 95% confidence interval (CI) of FH were 0.19% (0.17%–0.22%) and 0.13% (0.10%–0.16%), respectively. The prevalence varied across age groups and peaked in the group of 60–<70 years (0.28%), and the peak prevalence (0.18%) in males was earlier, yet lower than the peak crude prevalence in females (0.41%). During a mean follow‐up of 10.7 years, 2493 cases of incident CAD were identified. After multivariate adjustment, FH patients had a 2.03‐fold greater risk of developing CAD compared to non‐FH participants.

Conclusions

The prevalence of FH was estimated to be 0.19% in the participants, and it was associated with an elevated risk of incident CAD. Our study suggests that early screening of FH has certain public health significance for the prevention of CAD.
Flow rate impact on the performance of immobilized nanoFeCu for sewage treatment and its reusability
Authors: Chan Mieow Kee , Lim Kah Weng , Mohd Aris Alijah , Ho Yoke Ping , Khor Bee Chin
Published: April 2023

Ammonia pollution is a global issue, and it endangers human and aquatic life. The role of nanoFeCu in oxidizing ammonia has been identified, but its practicality and performance on the pilot scale are still unclear. This study was conducted to investigate immobilized nanoFeCu's performance in terms of ammonia, nitrate, nitrite, biological oxygen demand (BOD), chemical oxygen demand (COD), and total suspended solid (TSS) by using sewage as feed. The effect of sewage flow rate was studied to determine the optimum operating condition of a pilot‐scale reactor. The reusability test was conducted to address sustainability concerns. The nanoFeCu was synthesized, immobilized in polymer clay, and placed into the reactor filled with sewage at a varied flow rate of from 210 to 1200 mL/min. Results showed that a higher sewage flow rate increased the ammonia removal rate within a shorter time but exhausted the immobilized nanoFeCu at a higher rate. Nitrate, nitrite, and TSS have a similar removal trend as ammonia. 800 mL/min was identified as the optimum flow rate with effluent ammonia concentration below 10 ppm in 9 h and maintained for 12 h. A reusability study showed that immobilized nanoFeCu could be reused for at least 10 successive cycles. The stability and performance of immobilized nanoFeCu suggested that it could be an alternative to treat sewage wastewater for real‐life applications.
Polycardanol's potential to deasphalt crude oil: Influence of polymer conversion degree, molar mass, and structure
Authors: Martins Maximiliano F. , Aversa Thiago M. , Lucas Elizabete F.
Published: April 2023

Cardanol is a natural material that acts to stabilize asphaltenes in crude oil. However, its derivative, polycardanol, obtained via cationic polymerization, has divergent behaviour, with reports of its acting both as asphaltenes stabilizer and flocculant. Recently, it was demonstrated that the reaction conditions influence the conversion rates, structures, and molar masses of the products from synthesizing polycardanol initiated with BF3 · O(C2H5)2. Seeking to elucidate the influence of these variables on the phase behaviour of asphaltenes, in this work six products, previously synthesized and characterized, had their performance evaluated by asphaltenes precipitation onset, using n‐heptane titration and monitoring by near‐infrared spectroscopy, using asphaltenes model systems (C5I and C7I) at 1.00 wt./vol.% in toluene. All the products had the ability to flocculate asphaltenes and have potential for deasphalting process. Flocculation efficiency increased with rising molar mass, higher reaction conversion degree, and presence of lateral hydrocarbon chains. The most efficient structures were not affected by the presence of unreacted cardanol. This indicated that the reaction does not require a purification step. Aged cardanol was also able to produce flocculant polymer, indicating that the distillation of cardanol is not required. The cost to obtain a product without needing reagent distillation becomes lower.
Plasma levels of interleukin‐6 mediate neurocognitive performance in older breast cancer survivors: The Thinking and Living With Cancer study
Authors: Mandelblatt Jeanne S. , Small Brent J. , Zhou Xingtao , Nakamura Zev M. , Cohen Harvey J. , Ahles Tim A. , Ahn Jaeil , Bethea Traci N. , Extermann Martine , Graham Deena , Isaacs Claudine , Jacobsen Paul B. , Jim Heather S. L. , McDonald Brenna C. , Patel Sunita K. , Rentscher Kelly E. , Root James C. , Saykin Andrew J. , Tometich Danielle B. , Van Dyk Kathleen , Zhai Wanting , Breen Elizabeth C. , Carroll Judith E.
Published: April 2023

Background

Immune activation/inflammation markers (immune markers) were tested to explain differences in neurocognition among older breast cancer survivors versus noncancer controls.

Methods

Women >60 years old with primary breast cancer (stages 0–III) (n = 400) were assessed before systemic therapy with frequency‐matched controls (n = 329) and followed annually to 60 months; blood was collected during annual assessments from 2016 to 2020. Neurocognition was measured by tests of attention, processing speed, and executive function (APE). Plasma levels of interleukin‐6 (IL‐6), IL‐8, IL‐10, tumor necrosis factor α (TNF‐α), and interferon γ were determined using multiplex testing. Mixed linear models were used to compare results of immune marker levels by survivor/control group by time and by controlling for age, racial/ethnic group, cognitive reserve, and study site. Covariate‐adjusted multilevel mediation analyses tested whether survivor/control group effects on cognition were explained by immune markers; secondary analyses examined the impact of additional covariates (e.g., comorbidity and obesity) on mediation effects.

Results

Participants were aged 60–90 years (mean, 67.7 years). Most survivors had stage I (60.9%) estrogen receptor–positive tumors (87.6%). Survivors had significantly higher IL‐6 levels than controls before systemic therapy and at 12, 24, and 60 months (p ≤ .001–.014) but there were no differences for other markers. Survivors had lower adjusted APE scores than controls (p < .05). Levels of IL‐6, IL‐10, and TNF‐α were related to APE, with IL‐6 explaining part of the relationship between survivor/control group and APE (p = .01). The magnitude of this mediation effect decreased but remained significant (p = .047) after the consideration of additional covariates.

Conclusions

Older breast cancer survivors had worse long‐term neurocognitive performance than controls, and this relationship was explained in part by elevated IL‐6.
RNA sequencing steps toward the first line
Authors: Boyle Theresa A. , Bossler Aaron D.
Published: April 2023

Plain language summary

DNA is the sequence that codes for proteins.

Messenger RNA is transcribed from the DNA sequence of genes and translated into protein.

It can be difficult to predict how a change in the DNA sequence will affect messenger RNA and protein quantity and quality.

DNA translocation changes can cause the joining of sequences from two different genes or different parts of the same gene.

DNA sequencing is often used clinically to predict how DNA changes might affect proteins.

Alternatively, RNA sequencing can be used as a more direct measure of the effect of DNA changes on the protein products.

This sequencing is important for identifying changes in cancer that may indicate response to targeted therapy, prognosis, or diagnosis.
Gene × gene and genotype × environment interactions in wheat
Authors: Raffo Miguel A. , Jensen Just
Published: April 2023

Accelerating the rate of genetic gain of major crops is required to meet the projected global demand for food. Genomic selection (GS) has made valuable contributions to the genetic progress of different species and is currently a routine procedure in most wheat (Triticum aestivum L.) breeding programs (WBP). Accounting for gene × gene (G × G) and genotype × environment interactions (G × E) in GS can significantly enhance genetic improvement by increasing the rate of genetic gain and adaptation of wheat cultivars. However, a comprehensive and updated knowledge of G × G and G × E methodologies is required to define the appropriate breeding strategy. In this review, we start by briefly describing the current situation and relevance of wheat breeding, then we focus on the central concepts of G × G and G × E and discuss the implications, challenges, and opportunities for the implementation of interactions in GS and wheat breeding. This review is primarily intended to be a reference material for wheat breeders and researchers. Nevertheless, most of the concepts exposed are transferable to any other autogamous or clonal crops, and are therefore useful in a much broader scope. We expect to encourage and facilitate the implementation of GS models accounting for interactions in plant breeding.
Integrating single‐cell RNA sequencing with spatial transcriptomics reveals an immune landscape of human myometrium during labour
Authors: Ji Kaiyuan , Chen Lina , Wang Xiaodi , Wen Bolun , Yang Fan , Deng Wenfeng , Chen Yunshan , Zhang Guozheng , Liu Huishu
Published: April 2023

Background

The transition of the myometrium from a quiescent to a contractile state during labour is known to involve inflammation, which is characterized by the infiltration of immune cells and the secretion of cytokines. However, the specific cellular mechanisms underlying inflammation in the myometrium during human parturition are not yet fully understood.

Methods

Through the analysis of transcriptomics, proteomics, and cytokine arrays, the inflammation in the human myometrium during labour was revealed. By performing single‐cell RNA sequencing (scRNA‐seq) and spatiotemporal transcriptomic (ST) analyses on human myometrium in term in labour (TIL) and term in non‐labour (TNL), we established a comprehensive landscape of immune cells, their transcriptional characteristics, distribution, function and intercellular communications during labour. Histological staining, flow cytometry, and western blotting were applied to validate some results from scRNA‐seq and ST.

Results

Our analysis identified immune cell types, including monocytes, neutrophils, T cells, natural killer (NK) cells and B cells, present in the myometrium. TIL myometrium had a higher proportion of monocytes and neutrophils than TNL myometrium. Furthermore, the scRNA‐seq analysis showed an increase in M1 macrophages in TIL myometrium. CXCL8 expression was mainly observed in neutrophils and increased in TIL myometrium. CCL3 and CCL4 were principally expressed in M2 macrophages and neutrophils‐6, and decreased during labour; XCL1 and XCL2 were specifically expressed in NK cells, and decreased during labour. Analysis of cytokine receptor expression revealed an increase in IL1R2, which primarily expressed in neutrophils. Finally, we visualized the spatial proximity of representative cytokines, contraction‐associated genes, and corresponding receptors in ST to demonstrate their location within the myometrium.

Conclusions

Our analysis comprehensively revealed changes in immune cells, cytokines, and cytokine receptors during labour. It provided a valuable resource to detect and characterize inflammatory changes, yielding insights into the immune mechanisms underlying labour.
3‐Fluoroalkyl (CF3, CHF2, CH2F) Cyclobutane‐Derived Building Blocks for Medicinal Chemistry: Synthesis and Physicochemical Properties
Authors: Demchuk Oleksandr P. , Bobovskyi Bohdan V. , Vashchenko Bohdan V. , Hryshchuk Oleksandr V. , Skreminskyi Artem , Chernykh Anton V. , Moskvina Viktoriia S. , Hordiyenko Olga V. , Volochnyuk Dmitriy M. , Grygorenko Oleksandr O.
Published: April 2023

Synthesis and physicochemical characterization of all possible cis‐ and trans‐1,3‐disubstituted cyclobutane‐derived amines and carboxylic acids bearing mono‐, di‐ and trifluoromethyl groups at the C‐3 position is disclosed. Tetramethylammonium fluoride (TMAF)‐ or morpholinosulfur trifluoride (Morph‐DAST)‐mediated nucleophilic fluorination of appropriate cis‐ and trans‐diastereomeric substrates was used as the key step for the preparation of CH2F‐ and CHF2‐substituted derivatives. To obtain the corresponding cis‐ and trans‐isomeric CF3‐substituted derivatives, resolution of known 3‐(trifluoromethyl)cyclobutanecarboxylic acid (obtained as a mixture of diastereomers) was applied. The proposed procedures were suitable for the preparation of corresponding fluoroalkyl‐substituted cyclobutane‐derived amines and carboxylic acids on up to 50 g scale. All 12 building blocks obtained were characterized by measuring dissociation constants (pKa) and lipophilicities (LogP, for model derivatives) to evaluate the effect of the fluoroalkyl substituents on their physicochemical properties relevant to further drug discovery applications.
Alkyl‐Bridged Nitropyrazoles – Adjustment of Performance and Sensitivity Parameters
Authors: Reinhardt Elena , Thamm Simon , Stierstorfer Jörg , Klapötke Thomas M.
Published: April 2023

Starting from 3,5‐dinitro‐4‐methylaminopyrazole (2), six different energetic salts and three new derivatives of methylene bridged nitropyrazoles were synthesized. The derivatives bear a methylamino (4), methylnitramino (5), and azido group (7). All compounds were intensively characterized using single crystal X‐ray diffraction, multinuclear NMR spectroscopy, IR spectroscopy, mass spectrometry, elemental analysis and DTA/TGA measurements. The sensitivities were determined according to BAM standard methods and the energetic properties calculated using the EXPLO5 code. The energetic salts were compared with each other and with ANTA in terms of their energetic properties. On the basis of the methyl‐ and ethyl bridged derivatives, it was shown how the introduction of methylamino (4) and methylnitramino (5) groups in an alkyl‐bridged nitropyrazole system modify its properties (performance & sensitivities). In addition, azido compound 7 was contrasted with its literature‐known constitutional isomer and investigated for its suitability as a potential metal‐free primary explosive.
Optimizing Methanol Reforming Parameters for Enhanced Hydrogen Selectivity in an Aspen Hysys Simulator using Response Surface Methodology
Authors: Budhraja Neeraj , Pal Amit , Mishra Radhey Shyam
Published: April 2023

Hydrogen is the prominent fuel for a nation's industrial and infrastructural development. Hydrogen fuel fulfills the energy requirement and reduces environmental pollution concerns. Hence, every country is looking for efficient and greener hydrogen production technologies. Herein, a simulation model of a methanol‐water (as feed) reformer is developed, and the effects of reaction temperature (RT), reactor pressure (RP), and methanol‐to‐water (M‐to‐W) ratio are investigated. In contrast, the optimal conditions for hydrogen selectivity (HS) and feed conversion percentage (FCP) are determined using response surface methodology. Results show a significant effect of the M‐to‐W molar ratio in the range of 0.9 and 1.35, whereas higher RT has a good affinity for higher HS and FCP. The regression analysis shows R2 values of 0.9877 and 0.9803 for HC and FCP, which are close to unity. Hence, both experimental (and simulated) and predicted values have better correspondence with each other. In contrast, the optimal HS and FCP of 84.81% and 95.71% are observed at 328 °C RT, 2.6 atm. RP, and 1.34 M‐to‐W molar ratio, respectively. Therefore, the present simulation and optimization provide results that may help to enhance the hydrogen production percentage in commercialized plants.
Exploration of Li‐Ion Batteries during a Long‐Term Heat Endurance Test Using 3D Temporal Microcomputed Tomography Investigation
Authors: Ballai Gergő , Sőrés Milán Attila , Vásárhelyi Lívia , Szenti Imre , Kun Robert , Hartmann Bálint , Sebők Dániel , Farkas Ferenc , Zahoor Aqib , Mao Guozhu , Sápi András , Kukovecz Ákos , Kónya Zoltán
Published: April 2023

High‐resolution computed tomography (micro‐CT) was used in this paper to visualize the inner structure of lithium nickel cobalt aluminum oxide 18 650 form‐factor batteries non‐destructively after and during a heat endurance test. Open circuit relaxation and electrochemical impedance spectroscopy were also conducted. We tested the different heat‐aged cells with micro‐CT and charge‐discharge and electrochemical impedance spectroscopy measurements to find the observable physical changes in the cell and connect them to the loss of performance. We found that the drastic changes in the structure of the cell at higher temperatures are well traceable. At 150 °C layer delamination and performance loss were observed, battery failure occurred with the further increase of the temperature, while at the same time, precipitation appeared and the positive temperature coefficient device fractured. Without opening the cell only tomographic methods can provide insight into the inner structure of the cell. We were able to measure the changes in the distances of the layers of the battery and decent shrinkage was observed, which can be linked to the loss of capacity and increased resistance.
Model‐coupled GRACE‐based analysis of hydrological dynamics of drying Lake Urmia and its basin
Authors: Khorrami Behnam , Ali Shoaib , Sahin Onur Gungor , Gunduz Orhan
Published: April 2023

Lake Urmia basin (LUB), in northwestern Iran, is under the influence of extreme degradation due to a number of natural and anthropogenic factors. The existence of the Lake is critical for the microclimate of the region as well as the quality of human life and wildlife, which necessitates an up‐to‐date and holistic analysis of its hydrological dynamics. In this premise, satellite‐based terrestrial water storage (TWS) received from the Gravity Recovery and Climate Experiment (GRACE) mission was coupled with hydrometeorological modelling and assessment tools to analyse the hydrological status of the lake and its basin. As a new gap‐filling approach, the Seasonal‐Trend decomposition using Locally estimated scatterplot smoothing (LOESS) (STL) decomposition technique was proposed in this study to reconstruct the missing TWS data. Integrating satellite precipitation data with the Catchment Land Surface Model (CLSM) and WaterGAP model outputs, the hydrological status of the lake was investigated. The STL‐based TWS turned out to concord well with the simulated TWS from the CLSM indicating the acceptable performance of the proposed technique. The findings revealed that the LUB had undergone an alarming hydrological situation from 2003 to 2021 with a total loss of and from its TWS and groundwater storage (GWS), respectively. The water level time series also indicated that the water level of the lake had diminished with an annual rate of corresponding to a total water level depletion of about during the 2003–2021 period. The GRACE‐derived TWS and GWS also agreed well with the CLSM simulations. Assessment of the extreme events of the LUB suggested that the basin suffered from a severe dry event in 2008 resulting in the depletion of its water storage and water level. It was also found that from 2003 onward, a critical hydrological setting had dominated the LUB with a negative hydrological balance of .