bluuebunny/crossref_metadata_2025_split huggingface dataset:
Supramolecular Organic Nanowires of 2,6‐Naphthalene Dicarboxylic Acid Observed in the Lamellar Space of Zn3(PO4)4and Zn1.6Co1.4(PO4)4Host Lattices
Authors: Babu Mukkamala Saratchandra , Wang Sue‐Lein 
Published: September 2022

AbstractThe formation of unique nanometer‐sized organic supramolecular assemblies was observed in the lamellar space of metal phosphate host lattices. Two new chiral and achiral organic‐inorganic hybrid materials, zinc phosphate, (H3tren)2[Zn3(PO4)4]⋅2NDA (ZnP‐NDA) and zinc‐cobalt phosphate, (H3tren)2[Zn1.6Co1.4(PO4)4]⋅2NDA (ZnCoP‐NDA) have been synthesized under hydrothermal conditions. The crystalline host framework was built with corner‐sharing MO4(M=Zn or Zn/Co) and PO4tetrahedra. In between these framework layers, aromatic dicarboxylic acid, 2,6‐Naphthalene dicarboxylic acids (NDA) are held together by means of strong hydrogen bonding and π‐π stacking interactions resulting in infinite supramolecular zigzag chains. After incorporating the cobalt into inorganic host lattice, astonishingly, the chiral structure tuns achiral. The crystal structures were elucidated by single crystal X‐ray diffraction and characterized by powder XRD, elemental analysis, thermogravimetry and photoluminescence measurements.
Supramolecular Interfaces and Reconfigurable Liquids Derived from Cucurbit[7]uril Surfactants
Authors: Sun Shuyi , Luo Yuzheng , Yang Yang , Chen Jie , Li Shuailong , Wu Zhanpeng , Shi Shaowei 
Published: September 2022

AbstractNanoparticle surfactants (NPSs) offer a powerful means to stabilize the oil‐water interface and construct all‐liquid devices with advanced functions. However, as the nanoparticle size decreases to molecular‐scale, the binding energy of the NPS to the interface reduces significantly, leading to a dynamic adsorption of NPS and “liquid‐like” state of the interfacial assemblies. Here, by using the host‐guest recognition between a water‐soluble small molecule, cucurbit[7]uril (CB[7]) and an oil‐soluble polymer ligand, methyl viologen‐terminated polystyrene, a supramolecular NPS model, termed CB[7] surfactant, is described. CB[7] surfactants form and assemble rapidly at the oil‐water interface, generating an elastic film with excellent mechanical properties. The binding energy of CB[7] surfactant to the interface is sufficiently high to hold it in a jammed state, transforming the interfacial assemblies from a “liquid‐like” to “solid‐like” state, enabling the structuring of liquids. With CB[7] surfactants as the emulsifier, O/W, W/O and O/W/O emulsions can be prepared in one step. Owing to the guest‐competitive responsiveness of CB[7] surfactants, the assembly/disassembly and jamming/unjamming of CB[7] surfactants can be well controlled, leading to the reconfiguration of all‐liquid constructs.
Kirigami‐Inspired Flexible Lithium‐Ion Batteries via Transformation of Concentrated Stress into Segmented Strain
Authors: Meng Qi , Zhu Jiaming , Kang Cong , Xiao Xiangjun , Ma Yulin , Huo Hua , Zuo Pengjian , Du Chunyu , Lou Shuaifeng , Yin Geping 
Published: September 2022

AbstractEmerging directions in the growing wearable electronics market have spurred the development of flexible energy storage systems that require deformability while maintaining electrochemical performance. However, the traditional fabrication approaches of lithium‐ion batteries (LIBs) are challenging to withstand long‐cycle bending alternating loads due to the stress concentration caused by the nonuniformity of the actual deformation. Herein, inspired by kirigami, a segmented deformation design of full‐cell scale thin‐type flexible lithium‐ion batteries (FLIBs) with large‐scale manufacturing characteristics via the current collector's mechanical blanking process is reported. This strategy allows the battery's elliptical deformation of the actual state to be transformed into the circular strain of the ideal configuration, thereby dispersing the stress concentration on the top of the battery. According to the results, the designed battery maintains >95% capacity after >20 000 harsh in situ dynamic tests. In addition, finite element analysis further reveals the mechanism that the segmented deformation strategy bears the mechanical stress. This work can enlighten the rational design and customization of electrode patterns for high compatibility with various devices, thereby providing potential opportunities for the application of FLIBs.
Combining molecular modeling approaches to establish the chromatographic enantiomer elution order in the absence of pure enantiomeric standards: A study case with two tetracyclic quinolines
Authors: Ianni Federica , Cerra Bruno , Moroni Giada , Varfaj Ina , Michele Alessandro Di , Gioiello Antimo , Carotti Andrea , Sardella Roccaldo 
Published: September 2022

AbstractIn this study, the stereoisomers of two tetracyclic quinolines previously discovered as Pregnane X Receptor ligands were stereodiscriminated with a Chiralcel OD‐H column under normal‐phase conditions. The two compounds are characterized by a C/D cis ring junction and the co‐existence of four diastereoisomers for the presence of a further chiral center at the ring C. A mobile phase made‐up of n‐hexane/2‐PrOH – 99:1 (v/v) allowed to obtain the four peaks of each stereoisomer fully resolved with enantioseparation and enantioresolution factor values up to 2.98 and 11.16, respectively. Due to the lack of pure enantiomeric standards of known stereochemistry, an indirect protocol was successfully applied to define the enantiomeric elution order (EEO) under the identified optimal eluent conditions. This was possible by comparing experimental and theoretical Time‐Dependent Density Functional Theory (TD‐DFT) electronic circular dichroism spectra.In order to confirm the EEOs established through the ab initio calculations, molecular docking simulations were successfully performed with a nonameric model structure of the chiral selector. The results from the docking simulations were in perfect accordance with the results from the TD‐DFT study, thereby confirming the importance of performing multiple methods in the case of indirect attribution of the absolute configuration.
High‐performance thin‐layer chromatography a densitometric detection of multi‐class bioactive compounds from three species of marine algae Padina and identification of antioxidant substance with mass spectrometry
Authors: Hakim Masuma , Patel Illa 
Published: September 2022

AbstractPadina is rolled‐blade‐shaped marine brown algae that often have overgrown and has been well explored for its medicinal qualities. The various species of Padina release a wide range of promising chemical components as part of their chemical defense systems. In this context, a finding was conducted to explore the bioactive compounds using exceptionally sophisticated analytical techniques, such as high‐performance thin‐layer chromatography. Microchemical and biochemical derivatization was used in the investigation to confirm multi‐class bioactive molecules and the antioxidant activity of the separated band. Microchemical derivatization ascertained the appearance of miscellaneous lipophilic substances, essential oils, volatile compounds, coumarin, and bitter principles. To determine the chemical standard of these algae, the qualitative (microchemical) screening of phytochemicals associated with flexible high‐performance thin‐layer chromatography was utilized. Moreover, biochemical derivatization, which generates a spectacular white band with a purple background to appear on the chromatogram, substantiates the antioxidant activity of a particular band. These results proffer a chromatographic profile of the antioxidant capability of three species of Padina's bioactive components, which will create the necessary information for the standardization and identification of marine algae. Mass spectrometry results revealed the presence of phytol compound from the diterpenoid class, which has antioxidant potential.
Effective Lagrangian and stability analysis in warped space
Authors: Cai Haiying 
Published: September 2022

Abstract
In the warped space model, the inter-brane distance can be stabilized by the Goldberger-Wise mechanism. Of particular importance, the stabilization potential calls for a proper identification of the dynamical degree of freedom. In this paper, we provided a complete calculation of the effective Lagrangian till the quadratic order that is generic for the Randall-Sundrum model and its N-brane (N ≥ 4) extensions. By applying the variation principle to a specific perturbation field, we derived the equations of motion and orthogonal conditions for decoupling the graviton. This approach is demonstrated to be equivalent to the analysis using the linearized Einstein equation. Our derivation clarifies that in the N-brane set up, just one degree of freedom for the radion field is dynamical, with the other modes eliminated by the gauge fixings. Thus we can directly generalize the GW stabilization to the N-brane model in a way similar to the RS1 scenario.
Quantitative rational approximation on spheres
Authors: Alam Mahbub , Ghosh Anish 
Published: September 2022

AbstractWe prove a quantitative theorem for Diophantine approximation by rational points on spheres. Our results are valid for arbitrary unimodular lattices and we further prove ‘spiraling’ results for the direction of approximates. These results are quantitative generalizations of the Khintchine-type theorem on spheres proved in Kleinbock and Merrill (Israel J Math 209:293–322, 2015).
Practical application of the interim internal threshold of toxicological concern (iTTC): a case study based on clinical data
Authors: Najjar Abdulkarim , Ellison Corie A. , Gregoire Sebastien , Hewitt Nicola J. 
Published: September 2022

AbstractWe present a case study that provides a practical step-by-step example of how the internal Threshold of Toxicological Concern (iTTC) can be used as a tool to refine a TTC-based assessment for dermal exposures to consumer products. The case study uses a theoretical scenario where there are no systemic toxicity data for the case study chemicals (avobenzone, oxybenzone, octocrylene, homosalate, octisalate, octinoxate, and ecamsule). Human dermal pharmacokinetic data following single and repeat dermal exposure to products containing the case study chemicals were obtained from data published by the US FDA. The clinical studies utilized an application procedure that followed maximal use conditions (product applied as 2 mg/cm2 to 75% of the body surface area, 4 times a day). The case study chemicals were first reviewed to determine if they were in the applicability domain of the iTTC, and then, the human plasma concentrations were compared to an iTTC limit of 1 µM. When assessed under maximum usage, the external exposure of all chemicals exceeded the external dose TTC limits. By contrast, the internal exposure to all chemicals, except oxybenzone, was an order of magnitude lower than the 1 µM interim iTTC threshold. This work highlights the importance of understanding internal exposure relative to external dose and how the iTTC can be a valuable tool for assessing low-level internal exposures; additionally, the work demonstrates how to use an iTTC, and highlights considerations and refinement opportunities for the approach.
Surgical Rib Fixation in Obese Patients with Isolated Flail Chest Improves Outcomes: A Matched Cohort Study
Authors: Dilday Joshua , Chien Chih Ying , Lewis Meghan , Emigh Brent , Benjamin Elizabeth R. , Demetriades Demetrios 
Published: September 2022

AbstractBackgroundObesity is associated with adverse outcomes after major operations. The role of operative rib fixation (RF) in obese patients with flail chest is not clear. The presence of other associated injuries may complicate the interpretation of outcomes. This study compared outcomes after RF to nonoperative management (NOM) in obese patients with isolated flail chest injury.MethodsAdult obese patients (BMI > 29.9) with flail chest were identified from the Trauma Quality Improvement Program (TQIP) database (2016–2018). Hospital transfers, death within 72 h, and extrathoracic injuries were excluded. RF patients were propensity score matched (1:2) to similar NOM patients. Multivariate regression identified independent factors predicting adverse outcomes.ResultsOverall, 367 patients with isolated flail chest who underwent RF were matched with 734 in the NOM group. After matching, the mortality rate was significantly lower in the RF group (1.4% vs. 3.7%; p < 0.05). RF had longer HLOS (15.7 days vs. 12.8 days; p < 0.05) and ICU LOS (10.1 days vs. 8.6 days; p < 0.05), shorter ventilator days (9.2 days vs. 11.5 days; p < 0.05), and a higher rate of venous thromboembolism (7.1% vs. 3.5%, p < 0.05). On multivariate analysis, RF was associated with decreased mortality (OR 0.27; p < 0.05). Early RF (≤ 72 h) was associated with shorter ICU stay and mechanical ventilation.ConclusionRF for isolated flail chest in obese patients is associated with decreased mortality and fewer ventilator days. When performed early, fixation decreases the need for prolonged ventilator use and ICU stay. A more aggressive VTE prophylaxis should be considered in patients undergoing RF.
Phenotype, genotype, and management of congenital fibrosis of extraocular muscles type 1 in 16 Chinese families
Authors: Chen Moxin , Huang Rui , Zhang Yingjie , Zhu Deyi Jasmine , Shu Qin , Xun Pengcheng , Zhang Jing , Gu Ping , Li Lin 
Published: September 2022

Abstract
Purpose
Congenital fibrosis of extraocular muscles type 1 (CFEOM1), a classical subtype of CFEOM, is characterized by restrictive ophthalmoplegia and ptosis. It is mainly caused by aberrant neural innervation of the extraocular muscles. This study aimed to investigate the genetic characteristics and clinical manifestations of CFEOM1 in Chinese families.

Methods
The clinical data, including ocular examinations, magnetic resonance imaging (MRI), and surgical procedures of affected individuals from 16 Chinese CFEOM1 families, were collected. The genomic DNA of 16 probands and their family members were sequenced for causative KIF21A gene mutations. Linkage analysis using microsatellite markers across KIF21A was also conducted.

Results
Affected individuals were presented with bilateral non-progressive ptosis, restricted horizontal eye movement, fixed infraduction of both eyes, compensatory chin-up head position, and neuromuscular abnormalities. Three heterozygous KIF21A mutations, c.2860C > T (p.R954W) (in eight families), c.2861G > T (p.R954L) (in two families), and c.2861G > A (p.R954Q) (in two families) were identified, which implied that hotspot mutations were common in Chinese CFEOM1 families. Germline Mosaicism was likely to be the cause of affected individuals with asymptomatic parents without KIF21A mutations presented in the eight families. Two affected individuals underwent modified levator muscle complex suspension surgery and achieved a good result without any complications.

Conclusion
Instead of evaluating the whole CFEOM1 gene variant, hotspot mutations could be given priority for screening. The occurrence of germline mosaicism has to be taken into account in genetic counseling. Patients with CFEOM1 who have ptosis may benefit from an innovative surgical procedure called modified levator muscle complex suspension.
Immunomodulatory effects of carbon ion radiotherapy in patients with localized prostate cancer
Authors: Hu Wei , Pei Yulei , Ning Renli , Li Ping , Zhang Zhenshan , Hong Zhengshan , Bao Cihang , Guo Xiaomao , Sun Yun , Zhang Qing 
Published: September 2022

Abstract
Purpose
Radiotherapy is one of the main local treatment modalities for prostate cancer, while immunosuppressive effect induced by radiotherapy is an important factor of radiation resistance and treatment failure. Carbon ion radiotherapy (CIRT) is a novel radiotherapy technique and the immunomodulatory effect of CIRT provides the possibility of overcoming radioresistance and improving efficacy. The aim of this study was to assess the immune response evoked by CIRT in localized prostate cancer patients.

Methods
Thirty-two patients were treated by CIRT combined with or without hormone therapy and peripheral blood samples were collected before and after CIRT. Investigation of peripheral immune cell frequency, proliferation, and cytokine expression was conducted by flow cytometry, real-time quantitative PCR and ELISA.

Results
There were no significant differences in the frequencies of CD3 + , CD4 + , CD8 + T cells and NK cells after CIRT. CD4/CD8 ratio increased whereas B cells decreased. All lymphocyte subsets except regulatory T cells (Tregs) displayed increased proliferation and T cells exhibited increased functionality after CIRT, characterized by modestly increased cytokine secretion of TNF. Moreover, higher frequencies of Tregs were shown. Neither monocytic myeloid-derived suppressor cells (MDSCs) nor early MDSCs changed after CIRT. TGF-β1 gene expression decreased while IL-6 showed a non-significant trend towards a decrease. Both IL-10 gene expression and plasma TGF‐β1 level were unchanged.

Conclusion
CIRT demonstrates the potential to elicit immune activation in localized prostate cancer patients, based on sparing lymphocytes, increased lymphocyte proliferation, enhanced T-cell functionality, together with limited induction of immunosuppressive cells and reduced expression of immunosuppressive cytokines.
Development of a Joint Third Mission Strategy – Challenges and Approaches
Authors: Hochstein Synnöve , Walter Stefanie , Speck Maria 
Published: September 2022

AbstractIn addition to offering education and conducting research, transferring knowledge from academia to society is the third core task of universities, their so-called Third Mission. A framework for transferring research results from science to society and integrating everyday problems into scientific research is a crucial starting point for academics seeking to generate solutions to socio-economic problems. At the beginning of the European University Alliance EURECA-PRO cooperation there were disparate understandings of Third Mission; as a result, related research and activities were variably conducted. Given that a common Third Mission strategy is a fundamental requirement for the establishment of the European University Alliance, EURECA-PRO is focused on all partner universities coming to a common Third Mission understanding. One way to pursue this goal is presenting EURECA-PRO scientific research from each university in video form. These videos have a clear and targeted focus on being relevant to everyday life; initial results show that this kind of science communication is both well accepted by scientists and supportive of developing a common Third Mission understanding within EURECA-PRO.
Assessment of the biological effect of metal ions and their complexes using Allium cepa and Artemia salina assays: a possible environmental implementation of biological inorganic chemistry
Authors: Tzima Chrysoula S. , Banti Christina N. , Hadjikakou Sotiris K. 
Published: September 2022

AbstractThe pollution of aquatic ecosystems due to the elevated concentration of a variety of contaminants, such as metal ions, poses a threat to humankind, as these ecosystems are in high relevance with human activities and survivability. The exposure in heavy metal ions is responsible for many severe chronic and pathogenic diseases and some types of cancer as well. Metal ions of the groups 11 (Cu, Ag, Au), 12 (Zn, Cd, Hg), 14 (Sn, Pb) and 15 (Sb, Bi) highly interfere with proteins leading to DNA damage and oxidative stress. While, the detection of these contaminants is mainly based on physicochemical analysis, the chemical determination, however, is deemed ineffective in some cases because of their complex nature. The development of biological models for the evaluation of the presence of metal ions is an attractive solution, which provides more insights regarding their effects. The present work critically reviews the reports published regarding the toxicity assessment of heavy metal ions through Allium cepa and Artemia salina assays. The in vivo toxicity of the agents is not only dose depended, but it is also strongly affected by their ligand type. However, there is no comprehensive study which compares the biological effect of chemical agents against Allium cepa and Artemia salina. Reports that include metal ions and complexes interaction with either Allium cepa or Artemia salina bio-indicators are included in the review.
Graphical abstract
Tools and algorithms for the construction and analysis of systems: a special issue for TACAS 2020
Authors: Biere Armin , Parker David 
Published: September 2022

AbstractThis special issue of Software Tools for Technology Transfer comprises extended versions of selected papers from the 26th edition of the International Conference on Tools and Algorithms for the Construction and Analysis of Systems (TACAS 2020). The focus of this conference series is tools and algorithms for the rigorous analysis of software and hardware systems, and the papers in this special cover the spectrum of current work in this field.
Using the EQ-5D-5L to investigate quality-of-life impacts of disease-modifying therapy policies for people with multiple sclerosis (MS) in New Zealand
Authors: Claflin Suzi , Campbell Julie A. , Norman Richard , Mason Deborah F. , Kalincik Tomas , Simpson-Yap Steve , Butzkueven Helmut , Carroll William M. , Palmer Andrew J. , Blizzard C. Leigh , van der Mei Ingrid , Henson Glen J. , Taylor Bruce V. 
Published: September 2022

Abstract
Background
Health state utilities (HSU) are a health-related quality-of-life (HRQoL) input for cost-utility analyses used for resource allocation decisions, including medication reimbursement. New Zealand (NZ) guidelines recommend the EQ-5D instruments; however, the EQ-5D-5L may not sufficiently capture psychosocial health. We evaluated HRQoL among people with multiple sclerosis (MS) in NZ using the EQ-5D-5L and assessed the instrument’s discriminatory sensitivity for a NZ MS cohort.

Methods
Participants were recruited from the NZ MS Prevalence Study. Participants self-completed a 45-min online survey that included the EQ-5D-5L/EQ-VAS. Disability severity was classified using the Expanded Disability Status Scale (EDSS) to categorise participant disability as mild (EDSS: 0–3.5), moderate (EDSS: 4.0–6.0) and severe (EDSS: 6.5–9.5). Anxiety/depression were also measured using the Hospital Anxiety and Depression Score (HADS). In the absence of an EQ-5D-5L NZ tariff, HSUs were derived using an Australian tariff. We evaluated associations between HSUs and participant characteristics with linear regression models.

Results
254 participants entered the study. Mean age was 55.2 years, 79.5% were female. Mean (SD) EQ-5D-5L HSU was 0.58 (0.33). Mean (SD) HSUs for disability categories were: mild 0.80 ± 0.17, moderate 0.57 ± 0.21 and severe 0.14 ± 0.32. Twelve percent reported HSU = 1.0 (i.e., no problems in any domain). Participants who had never used a disease-modifying therapy reported a lower mean HSU. Multivariable modelling found that the HADS anxiety score was not associated with EQ-5D-5L.

Conclusions
HRQoL for people with MS in NZ was lower than comparable countries, including Australia. We suggest a comparison with other generic tools that may have improved sensitivity to mental health.