bluuebunny/crossref_metadata_2025_split huggingface dataset:
A New Architecture for DNA‐Templated Synthesis in Which Abasic Sites Protect Reactants from Degradation
Authors: Frommer Jennifer , Oppenheimer Robert , Allott Benjamin M. , Núñez‐Pertíñez Samuel , Wilks Thomas R. , Cox Liam R. , Bath Jonathan , O'Reilly Rachel K. , Turberfield Andrew J. 
Published: February 2024

AbstractThe synthesis of artificial sequence‐defined polymers that match and extend the functionality of proteins is an important goal in materials science. One way of achieving this is to program a sequence of chemical reactions between precursor building blocks by means of attached oligonucleotide adapters. However, hydrolysis of the reactive building blocks has so far limited the length and yield of product that can be obtained using DNA‐templated reactions. Here, we report an architecture for DNA‐templated synthesis in which reactants are tethered at internal abasic sites on opposite strands of a DNA duplex. We show that an abasic site within a DNA duplex can protect a nearby thioester from degradation, significantly increasing the yield of a DNA‐templated reaction. This protective effect has the potential to overcome the challenges associated with programmable, sequence‐controlled synthesis of long non‐natural polymers by extending the lifetime of the reactive building blocks.
Renewing Halogen Substitution Strategy for the Rational Design of High‐Curie Temperature Metal‐Free Molecular Antiferroelectrics
Authors: Li Wenjing , Ma Yu , Hu Xinxin , Xu Haojie , Liu Yi , Han Shiguo , Fan Qingshun , Gao Changhao , Sun Zhihua , Luo Junhua 
Published: February 2024

AbstractMetal‐free molecular antiferroelectric (AFE) holds a promise for energy storage on account of its unique physical attributes. However, it is challenging to explore high‐curie temperature (Tc) molecular AFEs, due to the lack of design strategies regarding the rise of phase transition energy barriers. By renewing the halogen substitution strategy, we have obtained a series of high‐Tc molecular AFEs of the halogen‐substituted phenethylammonium bromides (x‐PEAB, x=H/F/Cl/Br), resembling the binary stator‐rotator system. Strikingly, the p‐site halogen substitution of PEA+ cationic rotators raises their phase transition energy barrier and greatly enhances Tc up to ~473 K for Br‐PEAB, on par with the record‐high Tc values for molecular AFEs. As a typical case, the member 4‐fluorophenethylammonium bromide (F‐PEAB) shows notable AFE properties, including high Tc (~374 K) and large electric polarization (~3.2 μC/cm2). Further, F‐PEAB also exhibits a high energy storage efficiency (η) of 83.6 % even around Tc, catching up with other AFE oxides. This renewing halogen substitution strategy in the molecular AFE system provides an effective way to design high‐Tc AFEs for energy storage devices.
Reductive Doping Inhibits the Formation of Isomerization‐Derived Structural Defects in N‐doped Poly(benzodifurandione) (n‐PBDF)
Authors: Hwang Jinhyo , Zhao Qiyuan , Ahmed Mustafa , Yakisan Alexander C. , Espenship Michael F. , Laskin Julia , Savoie Brett M. , Mei Jianguo 
Published: February 2024

AbstractRecently, solution‐processable n‐doped poly(benzodifurandione) (n‐PBDF) has been made through in‐situ oxidative polymerization and reductive doping, which exhibited exceptionally high electrical conductivities and optical transparency. The discovery of n‐PBDF is considered a breakthrough in the field of organic semiconductors. In the initial report, the possibility of structural defect formation in n‐PBDF was proposed, based on the observation of structural isomerization from (E)‐2H,2′H‐[3,3′‐bibenzofuranylidene]‐2,2′‐dione (isoxindigo) to chromeno[4,3‐c]chromene‐5,11‐dione (dibenzonaphthyrone) in the dimer model reactions. In this study, we present clear evidence that structural isomerization is inhibited during polymerization. We reveal that the dimer (BFD1) and the trimer (BFD2) can be reductively doped by several mechanisms, including hydride transfer, forming charge transfer complexes (CTC) or undergoing an integer charge transfer (ICT) with reactants available during polymerization. Once the hydride transfer adducts, the CTC, or the ICT product forms, structural isomerization can be effectively prevented even at elevated temperatures. Our findings provide a mechanistic understanding of why isomerization‐derived structural defects are absent in n‐PBDF backbone. It lays a solid foundation for the future development of n‐PBDF as a benchmark polymer for organic electronics and beyond.
Novel N‐pyrocatechoyl and N‐pyrogalloyl hydrazone antioxidants endowed with cytotoxic and antibacterial activity
Authors: Branković Jovica , Matejić Vesna , Simijonović Dušica , Vukić Milena D. , Kačaniova Miroslava , Živanović Marko , Mirić Ana , Košarić Jelena , Branković Marija , Petrović Vladimir P. 
Published: February 2024

AbstractOver the years, pharmacological agents bearing antioxidant merits arose as beneficial in the prophylaxis and treatment of various health conditions. Hazardous effects of radical species hyperproduction disrupt normal cell functioning, thus increasing the possibility for the development of various oxidative stress‐associated disorders, such as cancer. Contributing to the efforts for efficient antioxidant drug discovery, a thorough in vitro and in silico assessment of antioxidant properties of 14 newly synthesized N‐pyrocatechoyl and N‐pyrogalloyl hydrazones (N‐PYRs) was accomplished. All compounds exhibited excellent antioxidant potency against the 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) radical. The extensive in silico analysis revealed multiple favorable features of N‐PYRs to inactivate harmful radical species, which supported the obtained in vitro results. Also, in silico experiments provided insights into the preferable antioxidant pathways. Prompted by these findings, the cytotoxicity effects and the influence on the redox status of cancer HCT‐116 cells and healthy fibroblasts MRC‐5 were evaluated. These investigations exposed four analogs exhibiting both cytotoxicity and selectivity toward cancer cells. Furthermore, the frequently uncovered antimicrobial potency of hydrazone‐type hybrids encouraged investigations on G+ and G– bacterial strains, which revealed the antibacterial potency of several N‐PYRs. These findings highlighted the N‐PYRs as excellent antioxidant agents endowed with cytotoxic and antibacterial features.
Group consensus of hybrid‐order heterogeneous multi‐agent systems with and without input saturation
Authors: Tang Xiong‐Hui , Zhan Xi‐Sheng , Wang Ling‐Yan , Wu Jie , Yan Huai‐Cheng 
Published: February 2024

AbstractThis paper investigates the group consensus of hybrid‐order heterogeneous multi‐agent systems (MASs) consisting of first‐order linear agents and second‐order nonlinear agents with and without input saturation. First, group consensus algorithms are introduced. Then, by using various mathematical methods, including the graph theory, LaSalle invariant set principle, and Lyapunov stability theory, it is shown that hybrid‐order heterogeneous MASs can reach group consensus if sufficient conditions are satisfied. Further, the simulations are conducted to verify the theoretical results. Finally, the simulation results demonstrate that hybrid‐order heterogeneous MASs with and without input saturation can achieve the group consensus.
Rendezvous problem for chains of kinematic points
Authors: Liu Dongmei , Liu Liu , Lu Yufeng , Zhang Qian 
Published: February 2024

AbstractThis paper studies the dynamic of a chain of infinitely many kinematic points guaranteeing the uniform convergence in the
sense. A sufficient condition and some necessary conditions for infinite many kinematic points rendezvousing are given in terms of the spectrum and the invariant subspaces of the dynamic operator. The necessary and sufficient condition for finitely many kinematic points rendezvousing is characterized by the eigenvalues and the invariant subspaces of the dynamic operator. The estimate on the rate of the rendezvous is derived based on the spectrum of the dynamic operator.
Nonsingular fixed‐time adaptive neural terminal sliding mode control for a class of uncertain second‐order nonlinear systems
Authors: Song Jiaxuan , Wei Wei , Zhang Weihai 
Published: February 2024

AbstractIn this article, the fixed‐time adaptive neural tracking control for a class of second‐order uncertain nonlinear systems is investigated. First, a novel fast fixed‐time stable (FTS) autonomous system with the switched nonlinear term is constructed. Compared with the traditional FTS system (FTSS), the state of the proposed fast FTS system has a faster convergence rate for arbitrary initial state. Then, a fixed‐time terminal sliding mode control (FTSMC) scheme is developed based on the novel fast FTSS, and the tracking error of the closed‐loop system is verified to converge to the origin within a fixed time. The proposed FTSMC scheme not only realizes the upper bound of the settling time independent of the initial conditions but also completely avoids the singularity problem by introducing the switching sliding mode surface. Moreover, an adaptive neural FTSMC scheme is developed for the general uncertain nonlinear systems with the help of the approximation capabilities of neural networks (NNs). The feasibility of the presented control strategy is examined by the simulation of a single‐link robot system.
New insights into Chlorella vulgaris applications
Authors: Al‐Hammadi Mohammed , Güngörmüşler Mine 
Published: February 2024

AbstractEnvironmental pollution is a big challenge that has been faced by humans in contemporary life. In this context, fossil fuel, cement production, and plastic waste pose a direct threat to the environment and biodiversity. One of the prominent solutions is the use of renewable sources, and different organisms to valorize wastes into green energy and bioplastics such as polylactic acid. Chlorella vulgaris, a microalgae, is a promising candidate to resolve these issues due to its ease of cultivation, fast growth, carbon dioxide uptake, and oxygen production during its growth on wastewater along with biofuels, and other productions. Thus, in this article, we focused on the potential of Chlorella vulgaris to be used in wastewater treatment, biohydrogen, biocement, biopolymer, food additives, and preservation, biodiesel which is seen to be the most promising for industrial scale, and related biorefineries with the most recent applications with a brief review of Chlorella and polylactic acid market size to realize the technical/nontechnical reasons behind the cost and obstacles that hinder the industrial production for the mentioned applications. We believe that our findings are important for those who are interested in scientific/financial research about microalgae.
New Alkaloids and Steroids from Hydranth of Goniopora columna Corals and Their Inhibiting Lung Cancer Cell Activities
Authors: Feng Guangfu , He Jieyi , Li Qiqi , Bai Meng , Liu Kai , Liu Xinming , Yi Xiangxi , Liu Yonghong , Luo Lianxiang , Gao Chenghai 
Published: February 2024

AbstractA new alkaloids, aplysingoniopora A (1), and new configuration pregnane type steroid compound, 9,17‐α‐pregn‐1,4,20‐en‐3‐one (2), and two known pregnane type steroid compounds (3 and 4) were isolated from hydranth of Goniopora columna corals. The compounds structures and absolute configurations were determined by extensive spectroscopic analysis, MS data, single‐crystal X‐ray diffraction analysis and quantum chemical calculation. The anticancer effect of the compounds were explored in human non‐small‐cell lung cancer (NSCLC) A549 cell lines. As the results, the compound 3 and 4 induces toxicity and has proliferation inhibitory effects on A549 cells (IC50=58.99 μM and 58.77 μM, respectively) in vitro.
Naringen's Effects on Diuresis and Prevention of Urolithiasis in Hypertensive Rats
Authors: de Cássia Vilhena da Silva Rita , Dada Anelize , Lucietti Dick Sabrina , Odebrecht Cavichiolo Martina , Zanovello Mariana , Cechinel Filho Valdir , de Souza Priscila 
Published: February 2024

AbstractThis research demonstrates the diuretic effect of naringenin, a flavanone aglycone found in citrus, on spontaneously hypertensive female and male rats (SHR). The data reinforces existing literature findings that male SHR exhibits higher systolic blood pressure than age‐matched females. Urine volume assessed over 8 hours was lower when obtained from SHR males than females. When these animals were orally treated with different doses of naringenin (0.1–1 mg/kg), this increased urinary volume in both genders at the highest dose tested. In contrast, the lowest dose promoted a significant natriuretic effect. The other electrolytes analyzed in urine were not significantly altered, except potassium excretion, which was shown to be increased in the urine of SHR males. Furthermore, naringenin showed promise in reducing calcium oxalate (CaOx) crystal formation in an in vitro model, presenting potential advantages in lithiasis prevention.
Interaction of the Immune System TIM‐3 Protein with a Model Cellular Membrane Containing Phosphatidyl‐Serine Lipids
Authors: Delova Anastasiia , Pasc Andreea , Monari Antonio 
Published: February 2024

AbstractT cell transmembrane, Immunoglobulin, and Mucin (TIM) are important immune system proteins which are especially present in T‐cells and regulated the immune system by sensing cell engulfment and apoptotic processes. Their role is exerted by the capacity to detect the presence of phosphatidyl–serine lipid polar head in the outer leaflet of cellular membranes (correlated with apoptosis). In this contribution by using equilibrium and enhanced sampling molecular dynamics simulation we unravel the molecular bases and the thermodynamics of TIM, and in particular TIM‐3, interaction with phosphatidyl serine in a lipid bilayer. Since TIM‐3 deregulation is an important factor of pro‐oncogenic tumor micro‐environment understanding its functioning at a molecular level may pave the way to the development of original immunotherapeutic approaches.
Solution‐Phase Late‐Stage Chemoselective Photocatalytic Removal of Sulfonyl and Phenacyl Groups in Peptides
Authors: Kundu Samrat , Maji Modhu Sudan 
Published: February 2024

AbstractHerein, BPC catalyzed visible‐light‐triggered target‐specific late‐stage solution phase desulfonylation from tryptophan in oligopeptides is portrayed by overcoming the isolation issue up to octamers. This robust and mild method is highly predictable and chemoselective, tolerating myriad of functional groups in aza‐heteroaromatics and peptides. Interestingly, reductive desulfonylation is also amenable to biologically significant reactive histidine and tyrosine side chains, signifying the versatility of the strategy. Additional efficacy of BPC is demonstrated by solution phase phenacyl deprotection from C‐terminal in peptides. Furthermore, excellent catalyst loading of 0.5 mol% and recyclability demonstrate the practical utility and applicability of this strategy.
Immobilizing Triphenylamine with Photoredox Inert Sr2+ Forming Sr‐MOF with Controlled Electron Migration for Photocatalytic Oxidation of Thiols to Disulfides
Authors: Wang Ying‐Xia , Zheng Fang , Song Dong‐Xia , Niu Bao‐Yue , Deng Lu‐Qian , Zhang Xian‐Ming 
Published: February 2024

Comprehensive SummaryThe photocatalytic oxidative coupling of thiols is one of the most popular methods to synthesize the disulfides. Triphenylamine and its derivatives (TPAs) are promising for the above reaction, but suffer from the easy polymerization and difficult separation. To overcome these obstacles while controlling the photogenerated electrons transfer directly to target substrates, herein, we constructed one TPA‐based metal‐organic framework (MOF), (Me2NH2)[Sr(TCBPA)]·DMA·3H2O (1), by direct self‐assembly of tris(4′‐carboxybiphenyl)amine (H3TCBPA) and photoredox inert strontium ion (Sr2+). DFT calculations revealed that the valence band maximum (VBM) and the conduction band minimum (CBM) are mainly located on TCBPA3–, successfully inhibiting the undesirable electron migration to metal nodes. Experimental results indicated that 1 displays superior performance than homogeneous H3TCBPA, which may result from the abundant π···π and C—H···π interactions between the well‐arranged TCBPA3– and the build‐in electric field between the anionic framework and the Me2NH2+. This work highlights that immobilizing TPAs into MOFs is one promising approach to designing heterogeneous photocatalysts for the synthesis of disulfides by oxidative coupling of thiols.
Deep Earth Chronicles: High‐Pressure Investigation of Phenakite Mineral Be2SiO4
Authors: Singh Jaspreet , Errandonea Daniel , Kanchana Venkatakrishnan , Vaitheeswaran Ganapathy 
Published: February 2024

AbstractBeryllium silicate, recognized as the mineral phenakite (Be2SiO4), is a prevalent constituent in Earth's upper mantle. This study employs density‐functional theory (DFT) calculations to explore the structural, mechanical, dynamical, thermodynamic, and electronic characteristics of this compound under both ambient and high‐pressure conditions. Under ideal conditions, the DFT calculations align closely with experimental findings, confirming the mechanical and dynamical stability of the crystalline structure. Phenakite is characterized as an indirect band gap insulator, possessing an estimated band gap of 7.83 eV. Remarkably, oxygen states make a substantial contribution to both the upper limit of the valence band and the lower limit of the conduction band. We delved into the thermodynamic properties of the compound, including coefficients of thermal expansion, free energy, entropy, heat capacity, and the Gruneisen parameter across different temperatures. Our findings suggest that Be2SiO4 displays an isotropic behavior based on estimated anisotropic factors. Interestingly, our investigation revealed that, under pressure, the compression of phenakite is not significantly affected by bond angle bending.
Brief individual experiential schema therapy in adult outpatients with cluster C personality disorders: Does it work?
Authors: Wan‐Vermeer Rowina , Bouwmeester Samantha , Starrenburg Annemieke 
Published: February 2024

AbstractThis study investigated the effectiveness of brief individual experiential schema therapy (ST) in 12 adult outpatients with cluster C personality disorders (PD) using randomised multiple baseline design. Waitlist period was followed by five explorative sessions, 18 experiential ST sessions, two treatment follow‐up (FU) booster sessions and a 6‐month FU assessment. Overall well‐being (ORS), behavioural treatment goals and negative core beliefs were assessed 60–91 times, global symptomatic distress (BSI) six times. PD severity (SCID‐5‐PD) was pre‐post‐analysed. Randomisation and non‐parametric tests showed large significant effects (d = 1.08–2.38, r = .53–.66) on all outcomes at treatment‐FU and 6‐month FU assessment. This is the first study providing preliminary evidence of effectiveness of brief individual experiential ST for patients with cluster C PD, tentatively challenging the common tenet that long treatment duration is required. Due to limitations, replication is recommended.
Distress tolerance and lifetime frequency of non‐suicidal self‐injury (NSSI): A systematic review and meta‐analysis
Authors: Akbari Mehdi , Seydavi Mohammad , Firoozabadi Mahsa Akbarian , Babaeifard Maryam 
Published: February 2024

AbstractNSSI has recently been recognized as a significant health issue given its documented association with psychopathology and across a broad spectrum of psychiatric disorders. It has been found that individuals experiencing heightened emotions, which is referred to as an emotional cascade, are more likely to engage in self‐injury behaviour due to low levels of distress tolerance (DT). The current meta‐analysis using PRISMA guidelines sought to quantify the strength of the association between DT and lifetime frequency of NSSI using 22 eligible studies (N = 14,588; F = 60.7%; age = 23.35 ± 7.30), mainly from the United States. The correlation between emotional DT and NSSI was a small negative correlation (r = −.14), and it was non‐significant for behavioural DT and NSSI (r = .02). Also, the effect‐size was significant for studies that used interview‐based measure of NSSI (r = −.24), and it was non‐significant when self‐report measures of NSSI (r = −.11) utilized. The association between DT and NSSI was significant and negative across the general population (r = −.47), university students (r = −.17), and inpatients (r = −.27); surprisingly, it was significant and positive among adolescents or high school students (r = .17). The observed effect‐sizes were independent of publication year, mean age and its standard deviation, study quality, female proportion, DT, NSSI measures reliability, and clinical status. Future studies on NSSI should consider DT as a spectrum from distress intolerance to distress over‐tolerance, given that it seems it has different functions when different samples (e.g., adolescents) are studied.
NCAPH drives breast cancer progression and identifies a gene signature that predicts luminal a tumour recurrence
Authors: Mendiburu‐Eliçabe Marina , García‐Sancha Natalia , Corchado‐Cobos Roberto , Martínez‐López Angélica , Chang Hang , Hua Mao Jian , Blanco‐Gómez Adrián , García‐Casas Ana , Castellanos‐Martín Andrés , Salvador Nélida , Jiménez‐Navas Alejandro , Pérez‐Baena Manuel Jesús , Sánchez‐Martín Manuel Adolfo , Abad‐Hernández María Del Mar , Carmen Sofía Del , Claros‐Ampuero Juncal , Cruz‐Hernández Juan Jesús , Rodríguez‐Sánchez César Augusto , García‐Cenador María Begoña , García‐Criado Francisco Javier , Vicente Rodrigo Santamaría , Castillo‐Lluva Sonia , Pérez‐Losada Jesús 
Published: February 2024

AbstractBackgroundLuminal A tumours generally have a favourable prognosis but possess the highest 10‐year recurrence risk among breast cancers. Additionally, a quarter of the recurrence cases occur within 5 years post‐diagnosis. Identifying such patients is crucial as long‐term relapsers could benefit from extended hormone therapy, while early relapsers might require more aggressive treatment.MethodsWe conducted a study to explore non‐structural chromosome maintenance condensin I complex subunit H’s (NCAPH) role in luminal A breast cancer pathogenesis, both in vitro and in vivo, aiming to identify an intratumoural gene expression signature, with a focus on elevated NCAPH levels, as a potential marker for unfavourable progression. Our analysis included transgenic mouse models overexpressing NCAPH and a genetically diverse mouse cohort generated by backcrossing. A least absolute shrinkage and selection operator (LASSO) multivariate regression analysis was performed on transcripts associated with elevated intratumoural NCAPH levels.ResultsWe found that NCAPH contributes to adverse luminal A breast cancer progression. The intratumoural gene expression signature associated with elevated NCAPH levels emerged as a potential risk identifier. Transgenic mice overexpressing NCAPH developed breast tumours with extended latency, and in Mouse Mammary Tumor Virus (MMTV)‐NCAPHErbB2double‐transgenic mice, luminal tumours showed increased aggressiveness. High intratumoural Ncaph levels correlated with worse breast cancer outcome and subpar chemotherapy response. A 10‐gene risk score, termed Gene Signature for Luminal A 10 (GSLA10), was derived from the LASSO analysis, correlating with adverse luminal A breast cancer progression.ConclusionsThe GSLA10 signature outperformed the Oncotype DX signature in discerning tumours with unfavourable outcomes, previously categorised as luminal A by Prediction Analysis of Microarray 50 (PAM50) across three independent human cohorts. This new signature holds promise for identifying luminal A tumour patients with adverse prognosis, aiding in the development of personalised treatment strategies to significantly improve patient outcomes.