bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design, Synthesis and Anticholinesterase Activity of Coumarin‐1,3,5‐triazine Derivatives
Authors: Zhang Xiao‐Qing , Wang Jing , Zou Jing‐Pei , Cao Yang , Xu Xu‐Hui , Ding Bo , Liu Wei‐Wei , Ma Shao‐Jie , Shi Da‐Hua 
Published: January 2024

AbstractA series of coumarin‐1,3,5‐triazine derivatives were designed, synthesized and evaluated as acetylcholinesterase inhibitors. The structures of those compounds were characterized by IR, NMR, HRMS, HPLC, and X‐ray. The structures of those coumarin‐1,3,5‐triazine derivatives are the mixtures of two geometric isomers. The 1H‐NMR of compound 3 g without coumarin structure and its hydrochloride and single crystal structure of compound 3 g were studied to prove the coumarin‐1,3,5‐triazine derivatives are the mixtures of two geometric isomers. The acetylcholinesterase and butyrylcholinesterase inhibitory activities of the synthesized compounds were determinated by Ellman's method. The results showed that all the compounds could inhibit acetylcholinesterase selectively. Among them, compound 3 b was found to have the strongest inhibitory effect on acetylcholinesterase with an IC50 value of 0.018 μM, which was closest to the IC50 of the positive control donepezil (IC50=0.016 μM). Enzyme kinetic studies indicate that this compound inhibited acetylcholinesterase with a mixed mode. Molecular docking, molecular dynamics simulation study and binding free energy calculation experiments demonstrated that compound 3 b could stably interact with key amino acids in the catalytically active site and the peripheral anion site of acetylcholinesterase. According to the results, compound 3 b demonstrates promising potential as acetylcholinesterase inhibitors for the treatment of Alzheimer's disease.
Water‐Promoted Synthesis of Pyrazole‐Thiazole‐Derivatives as Potent Antioxidants And their Anti‐cancer Activity: ADMET and SAR Studies
Authors: Kachhot Kanji D. , Vaghela Foram H. , Dhamal Chirag H. , Vegal Niyati K. , Bhatt Tejal D. , Joshi Hitendra S. 
Published: January 2024

AbstractThe hybridization of two drugs crizotinib and febuxostat was used for designing the molecules which were synthesized using the Hantzsch thiazole synthetic method. The reaction was improved using a variety of solvents. Nonetheless, the product was developed in aqueous conditions with a high yield (87 %). The explored approach has various benefits, including catalyst‐free synthesis, purification without column chromatography, and a greener solvent. The antioxidant potential was assessed by DPPH (1,1‐diphenyl‐2‐picrilhydrazyl) radical scavenging activity for compounds 7 a, 7 e, 7 g, 7 i, 7 j. The percentage of DPPH radical scavenging activity ranged from 20.674 to 59.083. The best antioxidant capacity was shown by 7 a (IC50=8.46); In addition, bioavailability was predicted for compound 7 a by in‐silico calculations of ADMET (absorption, distribution, metabolism, excretion, and toxicity) and pharmacokinetic parameters. A total of 10 thiazole derivatives were synthesized and out of which 05 compounds were evaluated for their anti‐cancer activity against 60 distinct human tumor cell lines. Most of the synthesised compounds show moderate to good anti‐cancer activity.
Discriminative Chromogenic Detection of Fluoride and Cyanide Ions
Authors: Maurya Chandra Kant , Gupta Pradeep Kumar 
Published: January 2024

AbstractA silylated chalcone based sensing probe was designed and synthesized for both simultaneous as well as discriminative detection of fluoride and cyanide ions. The probe showed chromogenic response after the addition of either fluoride or cyanide ion. However, addition of water caused discoloration of the probe solution in case of fluoride ion only while no such change was observed in case of cyanide ions. The probe was found to be selective for the colorimetric detection of F‐ and CN‐ions as it did not generate any chromogenic response in presence of other analyte. For fluoride ions, the detection limit of sensor was calculated to be 0.075 μM while in case of cyanide ions; the detection limit was determined to be 0.23 and 0.44 μM in absence and in presence of water respectively. Practical utility of the proposed method was also demonstrated by testing the real water samples.
Pillaring Electronic Nano‐Wires to Slice T‐Nb2O5 Laminated Particles for Durable Lithium‐Ion Batteries
Authors: Zheng Yongjian , Chen Keyi , Wang Lei , Chen Shuangqiang , Li Chilin 
Published: January 2024

AbstractT‐Nb2O5 characterized by the pronounced intercalation pseudocapacitance effect, is regarded as a promising and alternative anode for fast‐charging Li‐ion batteries. However, its electrochemical kinetics are still hindered by the absence of sufficient and homogenous conductive wiring inside active microparticles. Herein, an in situ pillaring strategy of electronic nano‐wires is proposed to slice T‐Nb2O5 laminated particles for the development of durable and fast‐charging anodes for Li‐ion batteries. A micro‐level layered structure consisting of nano‐carbon‐inserted T‐Nb2O5 composite flakes is designed and enabled by successive ion exchange, slice exfoliation, in situ polymerization, and carbonization processes. The pillared carbon interlayer (derived from polyaniline) can serve as in‐built conductive wires to promote and homogenize electron transfer inside the micro‐level particles. The porous structure (formed by the self‐assembly of exfoliated flakes) contributes to the improved electrolyte immersion and enhanced lithium migration. Benefitting from the kinetically favorable effects, the modified T‐Nb2O5 anode achieves the high‐rate capability (108.4 mAh g−1 at 10 A g−1) and ultralong cycling durability (138 mAh g−1 at 1.0 A g−1 after 8000 cycles, with an average capacity decaying rate as small as 0.043‰). This work provides an effective strategy of electron wire pillaring with the slicing effect for laminated electrode materials with high tap density.
Self‐Assembled Preparation of Porous Nickel Phosphide Superparticles with Tunable Phase and Porosity for Efficient Hydrogen Evolution
Authors: Xu Wanjie , Chen Yuanzhi , Niederberger Markus , Tervoort Elena , Mei Jie , Peng Dong‐Liang 
Published: January 2024

AbstractSelf‐assembly of colloidal nanoparticles enables the easy building of assembly units into higher‐order structures and the bottom‐up preparation of functional materials. Nickel phosphides represent an important group of catalysts for hydrogen evolution reaction (HER) from water splitting. In this paper, the preparation of porous nickel phosphide superparticles and their HER efficiencies are reported. Ni and Ni2P nanoparticles are self‐assembled into binary superparticles via an oil‐in‐water emulsion method. After annealing and acid etching, the as‐prepared Ni‐Ni2P binary superparticles change into porous nickel phosphide superparticles. The porosity and crystalline phase of the superparticles can be tuned by adjusting the ratio of Ni and Ni2P nanoparticles. The resulting porous superparticles are effective in driving HER under acidic conditions, and the modulation of porosity and phase further optimize the electrochemical performance. The prepared Ni3P porous superparticles not only possess a significantly enhanced specific surface area compared to solid Ni‐Ni2P superparticles but also exhibit an excellent HER efficiency. The calculations based on the density functional theories show that the (110) crystal facet exhibits a relatively lower Gibbs free energy of hydrogen adsorption. This work provides a self‐assembly approach for the construction of porous metal phosphide nanomaterials with tunable crystalline phase and porosity.
Knee function assessment of anterior cruciate ligament injury with a Kirigami buckling‐resistant stretchable sensor
Authors: Yang Xiaopeng , Zhang Menglun , Niu Pengfei , Guo Wenlan , Sun Chen , Pang Wei , Cui Guoqing , Liu Qiang 
Published: January 2024

AbstractContinuous and quantitative monitoring of knee joint function has clinical value in rehabilitation assessment and the timing of return to play for anterior cruciate ligament injury patients. However, the existing approaches, including clinical examination, arthrometry and inertial solutions, can only be used for qualitative, off‐line and low‐quality evaluations, respectively. Burgeoning Kirigami stretchable sensors could be a disruptive candidate solution, but they usually suffer from structural buckling issues when used for large strain applications, such as knee joint motion capture where the buckling degrades sensor reliability and repeatability. Here, we propose a buckling‐resistant stretchable and wearable sensor for knee joint motion capture. It enables continuous and precise motion signal capture of the knee joint and provides high wearing comfort and reliability. Clinical tests were conducted on 30 patients in the field, tracking data provided by the sensor from their initial hospitalization to later surgery. And the full rehabilitation of one subject was recorded and analyzed. The test results show that our sensor can dynamically assess knee function in real time and recommend the best timing for return to play, which paves the way for personalized and telerehabilitation.
Arsenic removal adsorbent using limonite–polyethersulfone composite fiber via continuous flow column process
Authors: Le Thi Anh Phuong , Zhe Li , Kobayashi Takaomi 
Published: January 2024

AbstractThis research introduces an enhanced limonite‐based composite fiber adsorbent for arsenic (As) removal. The modification involves creating polyethersulfone (PES)–limonite composite fibers loaded with 60 wt% limonite powders, designed to be applicable in water flow environments. The fibers were prepared using a wet‐spinning process based on phase inversion, with varying concentrations (10, 20, and 30 wt%) of PES in NMP solution. The composite fiber with 10 wt% NMP exhibited a porous structure and demonstrated efficient absorption of both As(III) and As(V). Adsorption followed the Langmuir model, with qm values of 1.5 mg/g for As(III) and 3.2 mg/g for As(V) at pH 6. In column experiments, As removal rates increased with contact time, attributed to decreased flow rates (1 mL/min). Moreover, increasing fiber column height led to enhanced removal rates, as indicated by the Adams–Bohart model. The mechanism for As(V) removal involved the formation of an inner‐sphere complex through ion exchange between α‐FeOOH and HAsO4− and H2AsO42− in an aqueous solution at pH 6.8.Practitioner Points

Changing the polyethersulfone ratio in the composite leads to variations in the appearance of limonite within each composite fiber.
Limonite composite fibers effectively remove As(III) and As(V) at neutral pH.
The adsorption behavior follows Langmuir kinetic model, the qm of 1.5 mg/g for As(III) and 3.2 mg/g for As(V).
Longer columns and contact times enhance arsenic (As) removal in practical water treatment systems.
Adam–Bohart model aids in predicting breakthrough and saturation time in As adsorption column design.
Addiction Disorders
Authors: Krüger Reinhard T. 
Published: January 2024

AbstractThe core problem of addicts is addiction and not the other mental disorders that may be present. This is because the addictive thinking, feeling and acting is the dominant defense that blocks success in therapy. The therapist and the patient therefore externally symbolize with chairs 1. The patient’s healthy adult thinking, 2. His self-protection through his addictive thinking and feeling, and 3. His symptoms in everyday life. They develop further his addictive thinking and feeling in the as-if mode of play and paradoxically work out the positive meaning of this defense within the framework of his self-regulation. The patient’s self-development initially should take place in the symptom production. This is because metacognitive confusion prevents patients with addiction from adequately processing deeper conflicts. The patient should first gain ego control over his addictive self-regulation. This disorder-specific approach is indicated for harmful use or dependence on alcohol or drugs, and also for non-substance-related addictions such as eating disorders, internet addiction, sex addiction, and other addictions. It makes the experiences of Alcoholics Anonymous fruitful in digested form for depth psychological, behavioral, and systemic therapy.
Holographic renormalized entanglement and entropic c-function
Authors: Fujita Mitsutoshi , He Song , Sun Yuan , Zhang Jun 
Published: January 2024

Abstract
We compute holographic entanglement entropy (EE) and the renormalized EE in AdS solitons with gauge potential for various dimensions. The renormalized EE is a cutoff-independent universal component of EE. Via Kaluza-Klein compactification of S1 and considering the low-energy regime, we deduce the (d − 1)-dimensional renormalized EE from the odd-dimensional counterpart. This corresponds to the shrinking circle of AdS solitons, probed at large l. The minimal surface transitions from disk to cylinder dominance as l increases. The quantum phase transition occurs at a critical subregion size, with renormalized EE showing non-monotonic behavior around this size. Across dimensions, massive modes decouple at lower energy, while degrees of freedom with Wilson lines contribute at smaller energy scales.
Dualities from Swampland principles
Authors: Bedroya Alek , Hamada Yuta 
Published: January 2024

Abstract
We initiate the program of bottom-up derivation of string theory dualities using Swampland principles. In particular, we clarify the relation between Swampland arguments and all the string theory dualities in d ≥ 9 dimensional supersymmetric theories. Our arguments center around the sharpened distance conjecture and rely on various other Swampland principles.
Foam fractionation Tags (F-Tags) enabling surfactant-free, activity-preserving recovery of enzymes
Authors: Krause Thomas , Keshavarzi Behnam , Heitkam Sascha , Ansorge-Schumacher Marion B. 
Published: January 2024

Abstract
Enzymes have become important tools in many industries. However, the full exploitation of their potential is currently limited by a lack of efficient and cost-effective methods for enzyme purification from microbial production. One technology that could solve this problem is foam fractionation. In this study, we show that diverse natural foam-stabilizing proteins fused as F-Tags to β-lactamase, penicillin G acylase, and formate dehydrogenase, respectively, are able to mediate foaming and recovery of the enzymes by foam fractionation. The catalytic activity of all three candidates is largely preserved. Under appropriate fractionation conditions, especially when a wash buffer is used, some F-Tags also allow nearly complete separation of the target enzyme from a contaminating protein. We found that a larger distance between the F-Tag and the target enzyme has a positive effect on the maintenance of catalytic activity. However, we did not identify any particular sequence motifs or physical parameters that influenced performance as an F-tag. The best results were obtained with a short helical F-Tag, which was originally intended to serve only as a linker sequence. The findings of the study suggest that the development of molecular tags that enable the establishment of surfactant-free foam fractionation for enzyme workup is a promising method.

Key points
• Foam-stabilizing proteins mediate activity-preserving foam fractionation of enzymes
• Performance as an F-Tag is not restricted to particular structural motifs
• Separation from untagged protein benefits from low foam stability and foam washings

Graphical Abstract
Recent advances in molecular profiling of bone and soft tissue tumors
Authors: Baumhoer D. , Hench J. , Amary F. 
Published: January 2024

AbstractThe molecular characterization of soft tissue and bone tumors is a rapidly evolving field that has changed the perspective of how these tumors are diagnosed today. Morphology and clinico-radiological context still represent the cornerstone of diagnostic considerations but are increasingly complemented by molecular data that aid in objectifying and confirming the classification. The spectrum of analyses comprises mutation or gene fusion specific immunohistochemical antibodies, fluorescence in situ hybridization, DNA and RNA sequencing as well as CpG methylation profiling. This article provides an overview of which tools are presently available to characterize bone and soft tissue neoplasms molecularly, what limitations should be considered, and what conclusions can be drawn from the individual findings.
Multidisciplinary rehabilitation with a focus on physiotherapy in patients with Post Covid19 condition: an observational pilot study
Authors: Weigl Martin , Beeck Saskia , Kraft Eduard , Stubbe Hans Christian , Adorjan Kristina , Ruzicka Michael , Lemhöfer Christina 
Published: January 2024

AbstractThere is a lack of interventions that treat the Post-Covid-19 Condition (PCC) itself. Accordingly, treatment guidelines recommend physiotherapy interventions to alleviate symptoms and enhance functioning. In cases where unimodal treatments prove ineffective, non-organ-specific multidisciplinary bio-psycho-social rehabilitation (MBR) programs are a suitable option. In a pilot observational study with assessments at the entry and end of treatment we aimed to evaluate the feasibility of a 3-week day clinic MBR program and explore its effects on physical functioning in PCC patients with fatigue and reduced physical capacity. Patient selection was based on an interdisciplinary assessment involving a physician, a psychologist and a physiotherapist. Feasibility was determined based on full participation (≥ 8 of 9 days) and maintenance of stable endurance in the 6-Minute Walk Test (6MWT). From 37 patients included in the study, 33 completed the MBR (mean age: 43 ± 12 years, 73% female). Four patients discontinued the MBR, with two of them having reported deterioration of PCC symptoms. The 6MWT showed a numerical improvement from 501 ± 97 m to 512 ± 87 m, although it did not reach statistical significance. These results support the feasibility of outpatient MBR with a focus on active physiotherapy interventions in PCC patients with fatigue. This study aligns with previous research supporting the effectiveness of physiotherapy and rehabilitation in PCC patients. However, further research is needed to address possible different treatment responses and varying treatment approaches in subgroups of PCC patients.
Morphine concentrations in fatalities after palliative treatment of acute burn injury
Authors: Bickel Julian , Aboutara Nadine , Jungen Hilke , Szewczyk Anne , Müller Alexander , Ondruschka Benjamin , Iwersen-Bergmann Stefanie 
Published: January 2024

AbstractThe evaluation of a morphine concentration in postmortem blood is routine for a forensic toxicologist. We here report three fatal cases where we found high morphine concentrations with 7.96, 4.30, and 5.82 mg/l in femoral blood that have to be estimated as unusually high. All these individuals died due to severe burn injuries and obtained morphine in the context of their palliative care in the last hours of their lives. According to the autopsy results, the cause of death in case 1 was burn disease with burns of about 90% of the body surface area (BSA), case 2 burn trauma, and case 3 burn shock. Besides morphine, propofol, fentanyl, sufentanil, midazolam, diazepam, lorazepam, cefazolin, and rocuronium were detected in femoral blood. The findings fitted well with the detailed clinical documentation. Further evidence of therapeutic concentrations of quetiapine, duloxetine, and melperone could be matched to preexisting medication of the individuals. Physiologically based pharmacokinetic modelling (PBPK) was applied, developed for the intravenous administration of morphine, to find an explanation for the high morphine concentrations in femoral blood. Quantification of morphine in body fluids and tissue was performed to calculate morphine tissue concentration ratios to the morphine concentration in femoral blood. The presented cases show that pharmacokinetic simulations can reflect decreased renal clearance and decreased hepatic metabolism in general. However, this prediction is not sufficient to explain the high morphine concentrations in femoral blood measured here. It can be assumed that burn shock in particular leads to altered pharmacokinetics, namely decreased distribution of morphine.
Impact of CT-measured sarcopenic obesity on postoperative outcomes following colon cancer surgery
Authors: Bajawi Mariam , Corral Sara , Blázquez Javier , Die Javier , Muñoz Paula , Barranquero Alberto G. , Juez Luz , Nisa Francisca García-Moreno 
Published: January 2024

Abstract
Objective
This study aimed to investigate the influence of sarcopenic obesity on anastomotic leak following elective colon resection for non-metastatic colon cancer. Secondary outcomes included overall morbidity, mortality and length of hospital stay.

Methods
This retrospective observational study, conducted at a colorectal surgery referral centre, spanned from January 1, 2015, to January 1, 2020. A total of 544 consecutive patients who underwent elective colon resection were included in the analysis, excluding patients with rectal cancer, urgent surgery, absence of anastomosis, lack of imaging, multivisceral resections and synchronic tumours.

Results
Postoperative complications were observed in 177 (32.3%) patients, with 51 (9.31%) classified as severe (Clavien-Dindo > II). Sarcopenic obesity was identified in 9.39% of the sample and emerged as an independent predictor of increased overall morbidity [OR 2.15 (1.14–3.69); p = 0.016] and 30-day mortality [OR 5.07 (1.22–20.93); p = 0.03] and was significantly associated with the development of anastomotic leak [OR 2.95 (1.41–6.18); p = 0.007]. Furthermore, it increased the risk of reoperation and was linked to a prolonged length of hospital stay.

Conclusions
CT-measured sarcopenic obesity demonstrates a discernible correlation with an elevated risk of postoperative morbidity and mortality in the context of colon cancer surgery.
The renin angiotensin aldosterone system
Authors: Triebel Hannah , Castrop Hayo 
Published: January 2024

AbstractIn this review, we will cover (i) the proteolytic cascade of the RAAS, (ii) its regulation by multiple feedback-controlled parameters, and (iii) the major effects of the RAAS. For the effects of the RAAS, we focus on the role of the RAAS in the regulation of volume homeostasis and vascular tone, as major determinants of arterial blood pressure.