bluuebunny/crossref_metadata_2025_split huggingface dataset:
Green synthesis, Single‐Crystal X‐RD, Hirshfeld Analysis and Anti‐Covid‐19 Molecular Docking Investigation of Symmetrical Azines
Authors: Ramkumar Subramaniyan , Ramarajan Rajalakshmi 
Published: February 2023

AbstractThe 1,2‐bis(3,4‐dimethoxybenzylidene)hydrazine (VAHD) and 1,2‐bis(3‐methoxy‐4‐hydroxybenzylidene)hydrazine (VNHD) are synthesised in a solvent free and catalyst free by greener method (MW). Both the compounds are characterized by FT‐IR,1H NMR and 13C NMR spectral studies. Single crystal XRD analysis provides more information on the structure of the compounds VAHD and VNHD. The energy gap (Eg), frontier orbital energies (EHOMO, ELUMO) and reactivity parameters like chemical hardness and global hardness andMulliken charges are calculated using density functional theory with B3LYP/6‐311++G(d,p) basis set. The experimental and theoretical calculated IR frequencies and NMR chemical shifts values are compared by DFT method. Hirshfeld surface analysis was conducted to study structure and molecular properties. Molecular docking of symmetrical azine at the active sites of SARS‐COVID receptors was investigated. Furthermore, the swissADME online application was used to analyse the physicochemical and pharmacokinetic features of the compounds (VAHD and VNHD).
Photo‐ and pH‐Responsive Hybrid Colloidal Particles
Authors: Mutlutürk Esma , Tamer Uğur , Caykara Tuncer 
Published: February 2023

AbstractMaterials that respond to environmental changes in a predictable manner are called “smart”. Here, smart dual‐responsive hybrid colloidal particles were prepared using the interface‐mediated reversible addition–fragmentation chain‐transfer (RAFT) polymerization method. The structure and morphology of the prepared poly(methacrylated‐spiropyran) (p(MMASP)) colloids were characterized by FTIR, 1H‐NMR and GPC spectroscopies, and SEM. The molecular weight and polydispersity were determined as 7877 g mol−1 and 1.16, respectively. Heterocyclic ring cleavage of the spiropyran (SP) pendant group enables the pH‐ and light‐responsive behavior with a reversible conversion between the hydrophobic and hydrophilic states. The isomerization from SP to merocyanine (MC) form proceeds in 7 min, while the reverse action takes 9 min. The pronounced photochromic effect and high fatigue resistance make these colloids suitable for smart applications.
Functionalized Silver Nanoparticles for Rapid Detection of Mn2+ Employing a Smartphone Platform
Authors: Sungwienwong Itthipol , Dankhanob Lalita , Kerdkok Dhanapat , Tongraung Pan , Apiratikul Nuttapon 
Published: February 2023

AbstractThis study describes the development of a simple, reliable, and low‐cost method to rapidly detect Mn2+ based on co‐functionalized silver nanoparticles (AgNPs) and the smartphone platform to be applied as an on‐site device in the field. The co‐functionalized AgNPs was investigated with other cations (Al3+, Ba2+, Ca2+, Cd2+, Co2+, Cr3+, Cu2+, Fe2+, Fe3+, K+, Li+, Mg2+, Na+, Ni2+, Pb2+ and Zn2+) at pH 3–10. The results showed that this functionalized AgNPs was selectively binded to Mn2+ at pH 10, which caused the color of the solution changing from yellow to orange‐red and can be measured by the smartphone application called PhotoMetrix. This application was used to measure color intensities based on RGB (red, green, blue) values and converted into Mn2+ concentration by using multivariate calibration curves within 10 minutes. The smartphone detection showed a high selectivity of AgNPs with Mn2+ and provided a positive coefficient correlation between the intensity of channel R and the concentration of Mn2+ with a linear range of 4.0×10−5–2.0×10−4 M (R2=0.9814) and a limit of detection of 2.7×10−5 M. Furthermore, the quantification of Mn2+ in real water samples can be successfully applied by this method. The obtained results were in close agreement with those obtained with inductively coupled plasma optical emission spectroscopy (ICP‐OES). Therefore, the development of a colorimetric system based on a smartphone system device was found to be feasible and reliable for on‐site Mn2+ detection in the real water samples.
Seleno‐L‐cystine and Vanillin Schiff's base: Synthesis, Reaction Mechanism and Biological activity
Authors: Marjanović Jovana S , Ćoćić Dušan , Caković Angelina Z , Petrović Nevena , Kosanić Marijana , Kostić Marina D , Divac Vera M 
Published: February 2023

AbstractIn this study, the new Schiff base bearing Se−Se bond and vanillin core in the structure was synthesized from the naturally occurring amino acid selenocystine and vanillin as an aldehyde counterpart. Taking into account the fact that synergy of different pharmacophores in one molecular structure could bring interesting biological properties, the synthetized compound was screened for the antimicrobial activities with respect to their minimum inhibitory concentracion (MIC) values for different bacteria and fungi cultures, as well as for binding interactions with deoxyribonucleic acid (DNA) and bovine serum albumin (BSA). Furthermore, the additional quantum chemical calculations and molecular docking simulations were performed for the better insight into detailed mechanism of Schiff base‐formation and mode of its biological activities. It has been observed that among tested bacterial and fungal strains, the best antimicrobial activity was displayed for the Staphylococcus aureus, while the fluorescence quenching experiments have revealed that compound possesses binding affinity towards both BSA and DNA.
Design, Synthesis, Antibacterial Evaluation and Docking Studies of Triazole and Tetrazole Linked 1,4‐benzodiazepine Nucleus via Click Approach
Authors: Devi Meenu , Jaiswal Shivangi , Yaduvanshi Neetu , Kaur Navjeet , Kishore Dharma , Dwivedi Jaya , Sharma Swapnil 
Published: February 2023

AbstractA novel series of 1,4‐triazole and 1H‐tetrazole pharmacophoric motifs embellished analogues linked to the privileged 1,4‐benzodiazepine nucleus through an amidophenylene, methylene and phenylene spacer were realized prodigiously through a domino click reaction. The structures of these compounds were established on the basis of their micro analytical IR, 1HNMR, 13C NMR and Mass spectral data. A noteworthy feature of this approach, over the variety of other methods available in the literature for the preparation of 1,4‐regioisomer of triazole and 1H‐tetrazole ring incorporated heterocyclic materials has been their easy access through a one pot strategy of Cu(I) catalyzed cycloaddition of a terminal alkyne with sodium azide. This Cu‐catalyzed click approach was applied for the synthesis of triazole and tetrazole incorporated 1,4‐benzodiazepine. Further, antibacterial activity and molecular docking studies were also performed to validate their biological potential.
Experimental study on crack propagation process of rock‐concrete interface in hot‐dry curing environment at different temperatures
Authors: Liu Pin , Guo Chen , Cui Shengai , Xia Wei , Wang Xuewei , Chen Xuemei 
Published: February 2023

AbstractThe effect of hot‐dry environment in the high‐temperature geothermal tunnel increases the initial defects on the bonding surface of the shotcrete and surrounding rock, which intensifies the generation and development of interface cracks. In this context, a wedge splitting test is used to study the fracture performance of the rock‐concrete interface in the hot‐dry environment at different temperatures. Based on the digital image correlation test, the development law of interface cracks is observed, the determination method of interface crack size is introduced, and the evolution process of interfacial fracture process zone is analyzed. The results show that the peak loads and the interface fracture energies of the specimens under the hot‐dry environment are significantly smaller than the standard curing environment, and decrease with the increase of temperature. In the standard curing environment, the cracks rapidly spread to the edge of the specimen near the peak load, while the cracks expand more slowly in the hot‐dry environment. The opening displacement of interface crack is linearly distributed along the height of specimen, and its value is much larger than the sliding displacement. The maximum interface fracture process zone length in hot‐dry environment is greater than that in standard curing environment.
Microwave ablation for the control of bleeding from disintegrated mammary tumours in two dogs
Authors: Kawamura Yuta , Itou Hiroki , Kida Akitomo , Sunakawa Hiroki , Kawamura Kenji 
Published: February 2023

AbstractA 16‐year‐old intact female Miniature Dachshund (dog 1) and a 13‐year‐old intact female American Cocker Spaniel (dog 2) presented with a chief complaint of bleeding from a mammary gland tumour ulceration. Dog 1 was transferred to hospital from a local hospital in a haemorrhagic shock state with uncontrolled continuous bleeding. Thoracic radiographs revealed multiple nodular shadows suspected to be pulmonary metastasis. Dog 2 presented with intermittent bleeding from a mass lesion in the right fifth mammary gland. Due to high anaesthetic risk secondary to severe mitral valve insufficiency (ASA status III), the owner declined surgical excision of the tumour. Therefore, microwave ablation (MWA) under local anaesthesia was chosen in order to achieve adequate haemostasis. Both dogs received local anaesthesia around the bleeding mass lesion, and the disintegrated site was microwave‐ablated; dog 1 underwent MWA after blood transfusion to improve the haemorrhagic shock. The ablation site was protected using a non‐adhesive dressing. Scarring of the ulcerated site led to complete haemostasis in both cases. Dog 1 underwent tumorectomy on the 31st hospital day to prevent rebleeding; histopathology results were consistent with mammary adenocarcinoma with the ablation site covered by a capsule structure. To the authors’ knowledge, this is the first case report describing the use of MWA to stop bleeding from mammary tumours in veterinary medicine. MWA is a feasible and potentially effective palliative treatment modality to stop bleeding from disintegrated mammary tumours in dogs under local anaesthesia.
Ureteral rhabdomyosarcoma in a dobermann
Authors: Brás Inês , Hall E.L. , Macfarlane Michael , Valiente Paula 
Published: February 2023

AbstractA ureteral rhabdomyosarcoma was diagnosed in a 2‐year, 9‐month‐old, entire, male dobermann with persistent haematuria. Diagnostic imaging revealed unilateral hydronephrosis and hydroureter. In addition, it showed thickening of the distal ureteric wall and focal thickening of the mucosa of the bladder trigone between the ureters. No mass was identified. The patient underwent exploratory laparotomy, and biopsies of the bladder mucosal thickening and right ureteral thickening were obtained. Histopathology of the ureteral thickening was suggestive of a ureteral rhabdomyosarcoma. A right ureteroneocystostomy was performed, and histopathology confirmed the suspected ureteral rhabdomyosarcoma, which was fully excised. Six months later, the patient remains asymptomatic with no evidence of recurrence or metastases on abdominal ultrasonography.
Conclusions
Authors: Kijek Tomasz , Kijek Arkadiusz , Matras-Bolibok Anna 
Published: February 2023

AbstractThis book tries to make new contributions to the current research on the link between innovation and technological convergence in the European regions. From the theoretical perspective, an attempt is made to provide a detailed view of the issue of catching-up and speeding-up effects of innovation activities in the technology race of regions by considering various conceptual approaches rooted in R&D-based endogenous growth theory, technology gap theory and innovation geography. As far as the methodological aspect of the research is concerned, the multi-faceted approach to testing TFP convergence in the sample of 219 European regions in the period 2008–2018 is applied.
Hypermethylation of the Bmp4 promoter dampens binding of HIF-1α and impairs its cardiac protective effects from oxidative stress in prenatally GC-exposed offspring
Authors: Gao Ling-Tong , Yuan Jian-Qiang , Zhang Zhi-Yu , Zhao Hou-Ming , Gao Lu 
Published: February 2023

AbstractThe exposure to an unhealthy environment in utero can lead to the occurrence of cardiovascular diseases in the offspring. Glucocorticoids (GC) are essential for normal development and maturation of fetal organs and is a first-line treatment for pregnant women affected by autoimmune diseases. However, excess prenatal GC exposure might program the development of fetal organs and cause a number of chronic diseases in later life. Our previous studies indicated that cardiac functions were significantly compromised in rat offspring prenatally exposed to the synthetic glucocorticoid dexamethasone (DEX), only after ischemia–reperfusion. In the present study, we further observed that DNA hypermethylation of bone morphogenetic protein 4 (Bmp4) promoter in cardiomyocytes caused by prenatal DEX exposure substantially dampened the binding activity of transcription factor HIF-1α induced by cardiac ischemia. Therefore, prenatal DEX exposure inhibits the induction of BMP4 upon I/R and attenuates the protective effects of BMP4 in cardiomyocytes, which eventually manifests as malfunction of the adult heart. Moreover, we employed two cardiac-specific Bmp4 knock-in mouse models and found that in vivo BMP4 overexpression could rescue the cardiac dysfunction caused by prenatal GC exposure. In depth mechanistic research revealed that BMP4 protects the cardiomyocytes from mitophagy and apoptosis by attenuating mitochondrial PGC-1α expression in a p-Smad and Parkin-dependent manner. These findings suggest that prenatal GC exposure increases the susceptibility of the offspring’s heart to a “second strike” after birth, due to the failure of hypoxia-induced HIF-1α transactivation of the hypermethylated Bmp4 promoter in cardiomyocytes. Pretreatment with the DNA methylation inhibitor, 5-Aza-2′-deoxycytidine, could be a potential therapeutic method for this programming effect of GC exposure during pregnancy on neonatal cardiac dysfunction.
Benefit of Advanced 3D DSA and MRI/CT Fusion in Neurovascular Pathology
Authors: Dobrocky Tomas , Matzinger Marco , Piechowiak Eike I , Kaesmacher Johannes , Pilgram-Pastor Sara , Goldberg Johannes , Bervini David , Klail Tomas , Pereira Vitor Mendes , Z’Graggen Werner , Raabe Andreas , Mordasini Pasquale , Gralla Jan 
Published: February 2023

AbstractDigital subtraction angiography provides excellent spatial and temporal resolution; however, it lacks the capability to depict the nonvascular anatomy of the brain and spinal cord.A review of the institutional database identified five patients in whom a new integrated fusion workflow of cross-sectional imaging and 3D rotational angiography (3DRA) provided important diagnostic information and assisted in treatment planning. These included two acutely ruptured brain arteriovenous malformations (AVM), a small superficial brainstem AVM after radiosurgery, a thalamic microaneurysm, and a spine AVM, and fusion was crucial for diagnosis and influenced further treatment.Fusion of 3DRA and cross-sectional imaging may help to gain a deeper understanding of neurovascular diseases. This is advantageous for planning and providing treatment and, most importantly, may harbor the potential to minimize complication rates. Integrating image fusion in the work-up of cerebrovascular diseases is likely to have a major impact on the neurovascular field in the future.
Thrombectomy of Mild Stroke
Authors: Feyen Ludger , Katoh Marcus , Haage Patrick , Münnich Nico , Weinzierl Martin , Blockhaus Christian , Rohde Stefan , Kniep Helge C. 
Published: February 2023

Abstract
Purpose
Whether patients presenting with mild stroke (NIHSS at admission < 6) should be treated with mechanical thrombectomy (MT) is the subject of an ongoing debate. This retrospective study based on large-scale clinical data aims to identify factors associated with favorable outcome (FO) in patients with mild stroke.

Methods
A total of 761 patients with mild stroke enrolled between 1 January 2020 and 31 December 2020 in the Quality Registry of the German Society for Neuroradiology were analyzed. The FO was defined as stable or improved NIHSS at discharge vs. admission. Descriptive statistics and multivariable logistic regression analyses were performed to identify factors associated with FO. Furthermore, a subgroup analysis of mild stroke based on distal vessel occlusion was conducted.

Results
In this study 610 patients had FO with a median NIHSS at discharge of 1 (interquartile range, IQR, 0-2) and 151 had an unfavorable outcome (UO) with median NIHSS at discharge of 10 (IQR 13). Patients with FO had a slightly higher NIHSS at admission (4 vs. 3, p < 0.001), lower mTICI 0 (2.7% vs. 14.2%, p < 0.001), higher mTICI 3 (61.3% vs. 34.5%, p < 0.001) and a lower number of passes (1 vs. 2, p < 0.001). No statistically significant difference was observed for MT-related adverse events. Multivariable logistic regression suggested that NIHSS at admission (adjusted odds ratio (aOR) = 1.28, 95% confidence interval (CI) = 1.10–1.48), mTICI 2b (aOR = 5.44, CI = 2.06–15.03), mTICI 2c (aOR = 10.81, CI = 3.65–34.07) and mTICI 3 (aOR = 11.56, CI = 4.49–31.10) as well as number of passes (aOR 0.76, CI = 0.66–0.88) were significantly associated with FO. No MT-related adverse events were observed for distal vessel occlusions.

Conclusion
The FO in patients with mild stroke undergoing MT was associated with successful recanalization. No significant differences between patients with FO and UO were found for MT-related adverse events, suggesting that MT complications have no significant effects on the outcome of these patients. MT might improve the prognosis also in patients with mild stroke based on distal vessel occlusions without significantly increasing the risk of adverse events.
Schwerstverletzungsartenverfahren – Einfluss der Ziffer 11 „Komplikationen“ sowie der COVID-19-Pandemie auf ein Haus der traumatologischen Maximalversorgung
Authors: Lodde Moritz F. , Freistühler Moritz , Sußiek Julia , Stolberg-Stolberg Josef , Roßlenbroich Steffen , Katthagen J. Christoph , Raschke Michael J. 
Published: February 2023

Zusammenfassung
Einführung
Die Sicherstellung der besten Therapie – das Heilverfahren (HV) – ist Aufgabe der Deutschen Gesetzlichen Unfallversicherung (DGUV). Das Verletzungsartenverzeichnis ist das Mittel zur Lenkung des HV. Ziele der Arbeit sind die Auswertung der mittelfristigen Entwicklung der Fallzahlen im DAV, VAV und SAV, der Ziffer 11 „Komplikationen“ sowie des möglichen Einflusses durch die COVID-19-Pandemie.

Methodik
Alle im SAV-Zentrum stationären DAV-, VAV- und SAV-Fälle von Januar 2019 bis Dezember 2021 wurden retrospektiv eingeschlossen. Die Fallzahlen vor und während der Lockdownmaßnahmen wurden verglichen. Der Case-Mix-Index, die Anzahl der durchschnittlichen Operationen, die Saalzeitminuten und die stationäre Verweildauer wurden analysiert.

Ergebnisse
67 % aller 2007 stationär behandelten Versicherten gehören dem SAV an. 51 % aller SAV-Fälle sind der Ziffer 11 zuzuordnen. Im Bereich des Schultergürtels und Ellenbogens, an der Hand, am Kniegelenk und im Bereich des Sprunggelenks und Fußes sind viele Fälle der Ziffer 11 behandelt worden. Diese sind wirtschaftlich nur entsprechend der Fälle des VAV abgebildet. Durch die Lockdownmaßnahmen sind die Fallzahlen signifikant zurückgegangen. Das Verhältnis der Fallzahlen im DAV und VAV vs. SAV hat sich nicht verändert.

Schlussfolgerung
Im Einzugsgebiet des vorliegenden SAV-Zentrums wird die Steuerung des HV in DAV, VAV und SAV erfolgreich verwendet. Der Großteil aller Fälle gehört dem SAV an. Hiervon wiederum ist mehr als die Hälfte der Ziffer 11 zuzuordnen. Der hohe Anteil an Komplikationsfällen der Ziffer 11 wirft die Frage nach der Notwendigkeit einer strukturellen Anpassung des HV auf. Die Kommentierung des aktualisierten Verletzungsartenverzeichnisses bietet entscheidende klärende Definitionen, jedoch sollte die Übersichtlichkeit erhalten bleiben.

Graphic abstract
Fulfilment of patients’ mandatory expectations are crucial for satisfaction: a study amongst 352 patients after total knee arthroplasty (TKA)
Authors: Lützner Cornelia , Beyer Franziska , David Ludwig , Lützner Jörg 
Published: February 2023

Abstract
Purpose
Patient satisfaction with the results of their total knee arthroplasty (TKA) is one of the primary goals of this elective procedure. Furthermore, the association between the fulfilment of patients’ expectations and their satisfaction is well known. The aim of this study was to identify the key expectations of patients awaiting a TKA, evaluate their fulfilment, and compare the outcomes between very and not fully satisfied patients.

Methods
A prospective cohort study of patients with knee OA scheduled for primary TKA was performed. Pre- and one-year postoperatively patient-reported outcome measures (PROMs) were assessed. Expectations and their fulfilment were evaluated via a questionnaire encompassing 31 expectations. Preoperatively, expectations were indicated as mandatory, desirable and not important. Postoperatively, fulfilment was rated as exceeded, fulfilled, partially or not fulfilled, and not applicable. Satisfaction with the results of TKA was measured with a numeric rating scale (NRS) of 0–10. Discrimination between not fully satisfied and very satisfied patients was set at ≥ 8, as has been proposed recently. To identify independent predictors of this discrimination, a multivariate logistic regression analysis was performed.

Results
Complete data sets of 352 patients were analysed. A set of 17 key expectations was identified. Relief of knee pain was fulfilled the most, and improvement of physical function was fulfilled the least. When asked about overall fulfilled expectations, 40% of patients rated them as exceeded, 34% as fulfilled and 26% as less fulfilled than expected. Not fully satisfied patients showed significantly lower PROMs pre- and postoperatively and less fulfilled key expectations. Higher numbers of exceeded and fulfilled mandatory expectations, higher overall fulfilment and better range of motion (ROM) were significant predictors for satisfaction ≥ 8.

Conclusion
Patients’ expectations of TKA outcomes were high with equal emphasis on knee-related and general health-related aspects. Their fulfilment was positively associated with satisfaction. Surgeons should ask patients about mandatory expectations for successful TKA and counsel them about the likelihood of their fulfilment to avoid unrealistic expectations.

Level of evidence
II.
The role of mothers on female labour force participation: an approach using historical parish records
Authors: Carro Jesús M. , Machado Matilde P. , Mora Ricardo 
Published: February 2023

AbstractUsing Portuguese parish data from 1675 to 1925, we estimate the relationship between a mother’s participation in the labour force and that of her daughter. We adapt a methodology to prevent bias that originates from potentially non-random missing data. Ignoring the missingness process results in substantial downward-biased estimates of the relationship, even for a proportion of missing values as low as 20 per cent. In contrast, our methodology yields unbiased estimates regardless of the proportion of missing values. We document the existence of a strong, positive association between the mother’s participation and that of her daughter long before the twentieth century’s substantial changes in education and the labour market