bluuebunny/crossref_metadata_2025 huggingface dataset:
Fitts’ Tapping Task as a New Test for Cognition and Manual Dexterity in Multiple Sclerosis: Validation Study
Authors: Glavor Klaudia Duka , Weinstock-Guttman Bianca , Vuletić Gorka , Vranić Ivanac Iva , Šimić Nataša , Covey Thomas J. , Jakimovski Dejan
Published: December 2022

Introduction. Studies suggest that people with multiple sclerosis (pwMS) experience continuous and subclinical physical worsening, even as early as their disease diagnosis. Validating sensitive and reproducible tests that can capture subclinical disease activity early in the disease are clinically useful and highly warranted. We aimed at validating the utility of Fitts’ Tapping Task (FTT) as reproducible measure of psychomotor performance in pwMS. Materials and Methods. Thirty newly-diagnosed pwMS (within 2 years of diagnosis and Expanded Disability Status Scale; EDSS ≤ 2.0), 30 people with migraine (pwMig), and 30 healthy controls (HCs) underwent a psychomotor assessment using the FTT, O’Connor hand dexterity test, and Visual Reaction Time Test (VRTT). Hand strength was measured using a hand-grip dynamometer. Subjects also provided patient-reported outcomes (PROs) using the 36-Item Short Form Survey (SF-36). Intrarater and interrater reproducibility was acquired on 5 HCs by two independent operators. Test–retest reproducibility was determined in 5 pwMS over a 1-week follow-up. Eight pwMS returned for the same test procedures 2 years after the baseline assessment. Bland–Altman plots were used to determine the minimally detectable change (MDC) and logistic regression models determined the ability to differentiate between newly-diagnosed pwMS and HCs. Results. FTT exhibited a high intrarater and interrater reproducibility (interclass correlation coefficient of 0.961, p < 0.001). The test–retest demonstrated an MDC of the average FTT at > 15%. PwMS had significantly a slower FTT time and O’Connor dexterity time when compared to pwMig and HCs (p < 0.001 for both). Higher Fitts’ difficulty levels (4th and 6th difficulty) and average performance on the O’Connor test were able to differentiate newly-diagnosed pwMS from HCs with 80% accuracy (p < 0.01). Slower FTT performance was correlated with worse PROs due to physical health. Over the 2-year follow-up, and despite being clinically stable (no change in EDSS), 6 out of 8 (75%) pwMS had more than a 15% worsening in their average FTT time. Conclusions. FTT is a highly-reproducible test for measuring psychomotor performance in newly-diagnosed pwMS. FTT can capture insidious worsening in psychomotor performance and cognitive function in early stages of MS.
Results of a Web-Based Survey on 2105 Greek Migraine Patients—Second Part: Efficacy of Acute and Prophylactic Migraine Treatments and Corresponding Patients’ Reported Satisfaction
Authors: Dermitzakis Emmanouil V. , Kouroudi Aikaterini , Argyriou Andreas A. , Spingos Konstantinos C. , Bilias Konstantinos , Vikelis Michail
Published: December 2022

Background and Objectives: The Greek Society of Migraine and Headache Patients conducted, in 2020, its second online survey, titled “Migraine in Greece—2020”, after publication of the first similar online survey conducted in 2018. To compare the current findings with the corresponding data obtained in 2018, we herein release the second part of results obtained from the 2020 survey on the efficacy of preventive and symptomatic anti-migraine medications and the patients’ reported satisfaction with these treatments. Materials and Methods: We surveyed 2105 migraine patients from all over Greece with the use of a 151-questions specific migraine-focused questionnaire in Greek language, which was distributed through the online research software “SurveyMonkey”. Results: Triptans were mostly used with efficacy for the symptomatic relief of migraine attacks. About 2 of 3 surveyed patients had received various prophylactic oral medications and the majority of them discontinued these prophylactic medications as a result of inefficacy/safety issues. BoNTA was reported to be effective only when administration was commenced by a trained neurologist/headache specialist, while our current findings are generally comparable to those obtained in our 2018 pre-COVID-19 survey and the pandemic has not imposed any significant attitudes on migraine therapies and corresponding patients’ satisfaction. Conclusion: Although a market change is anticipated with the evolving widespread use of anti-CGRPs monoclonal antibodies or gepants in the symptomatic and prophylactic treatment of migraine, it is of great interest to review published results of larger longitudinal population-based studies to further ascertain the satisfaction of patients to migraine therapies.
Adrenal Gland Primary Neuroblastoma in an Adult Patient: A Case Report and Literature Review
Authors: Telecan Teodora , Andras Iulia , Bungardean Maria Raluca , Muntean Diana , Militaru Claudia , Perciuleac Ion , Maga Andrei , Crisan Nicolae
Published: December 2022

Neuroblastoma (NB) is an undifferentiated malignant tumor of the sympathetic ganglia, occurring in children under 5 years of age. However, it is a rare histology in adult patients, occurring once per every 10 million patients per year. We present the case of a 68-year-old male patient presented to our department for right lumbar pain, asthenia, loss of weight and altered general status. The contrast-enhanced abdominal computer tomography revealed bilateral adrenal tumoral masses of 149 mm and 82 mm on the right and left sides, respectively, with invasion of the surrounding organs. The patient underwent right 3D laparoscopic adrenalectomy and right radical nephrectomy. The pathological result concluded that the excised tumor was a neuroblastoma of the adrenal gland. The patient followed adjuvant oncological treatment; however, due to disease progression, he passed away 22 months after the surgery. To our knowledge, less than 100 cases of adrenal NB in adult patients have been published, the eldest case being diagnosed at 75 years of age; meanwhile, the largest reported tumor measured 200 mm, and was excised through open surgery. Minimally invasive techniques have been limited so far to smaller, organ-confined diseases, thus making the present case the largest adrenal NB removed entirely laparoscopically. Neuroblastoma in the adult population is a rare finding, with worse prognosis compared to pediatric patients. The available literature does not provide enough data for standardized, multimodal management, as the patients are treated following adapted pediatric protocols, thus reinforcing the need for international, multidisciplinary boards for rare tumors.
The Future of Cardiothoracic Surgical Critical Care Medicine as a Medical Science: A Call to Action
Authors: Kopanczyk Rafal , Lester Jesse , Long Micah T. , Kossbiel Briana J. , Hess Aaron S. , Rozycki Alan , Nunley David R. , Habib Alim , Taylor Ashley , Awad Hamdy , Bhatt Amar M.
Published: December 2022

Cardiothoracic surgical critical care medicine (CT-CCM) is a medical discipline centered on the perioperative care of diverse groups of patients. With an aging demographic and an increase in burden of chronic diseases the utilization of cardiothoracic surgical critical care units is likely to escalate in the coming decades. Given these projections, it is important to assess the state of cardiothoracic surgical intensive care, to develop goals and objectives for the future, and to identify knowledge gaps in need of scientific inquiry. This two-part review concentrates on CT-CCM as its own subspeciality of critical care and cardiothoracic surgery and provides aspirational goals for its practitioners and scientists. In part one, a list of guiding principles and a call-to-action agenda geared towards growth and promotion of CT-CCM are offered. In part two, an evaluation of selected scientific data is performed, identifying gaps in CT-CCM knowledge, and recommending direction to future scientific endeavors.
An Overview of Malaria Transmission Mechanisms, Control, and Modeling
Authors: Savi Merveille Koissi
Published: December 2022

In sub-Saharan Africa, malaria is a leading cause of mortality and morbidity. As a result of the interplay between many factors, the control of this disease can be challenging. However, few studies have demonstrated malaria’s complexity, control, and modeling although this perspective could lead to effective policy recommendations. This paper aims to be a didactic material providing the reader with an overview of malaria. More importantly, using a system approach lens, we intend to highlight the debated topics and the multifaceted thematic aspects of malaria transmission mechanisms, while showing the control approaches used as well as the model supporting the dynamics of malaria. As there is a large amount of information on each subject, we have attempted to provide a basic understanding of malaria that needs to be further developed. Nevertheless, this study illustrates the importance of using a multidisciplinary approach to designing next-generation malaria control policies.
Anakinra in Heart Failure: A Systematic Review and Meta-Analysis of Randomized Controlled Trials
Authors: Mahfooz Kamran , Rana Aditya , Palagati Keerthi , Suvarna Akshata Krishna , Perryman Christian , Gaddipati Sai Pranathi , Adhnon Arshiya , Andani Rupesh , Vasavada Advait
Published: December 2022

Background: Heart failure (HF) has become increasingly difficult to manage given its increasing incidence. Despite the availability of novel treatment target relieving inhibition and congestions for neurohormonal activation, heart failure is one of leading health conditions associated with high hospitalization and readmission rates, resulting in poor quality of life. In light of this, this article serves to demonstrate the effect of anakinra as one of the treatment paradigms for HF to explore the need for advanced novel interventions. Methods: We conducted a search in five electronic databases, including Embase, MEDLINE, Cochrane, Scopus, and PubMed, for RCTs (randomized controlled trials) evaluating the effects of anakinra against placebo in HF. Meta-analysis was performed using RevMan version 5.4. Results: Eight RCTs were obtained and included for analysis in this study. The results demonstrate that anakinra significantly reduces the levels of CRP (C-reactive protein), with significant difference between anakinra- and placebo-treated groups. Analyses also show that CRP failed to cause an improvement in peak oxygen consumption and ventilatory efficiency. Additionally, the treatment-related adverse events were insignificant. Some considerable limitations are that the same set of researchers were involved in most of the studies; hence, more independent studies need to be encouraged. Conclusion: Anakinra was associated with a reduction in CRP levels, indicating some anti-inflammatory effects but no effect on function, exercise capacity, and adverse effects.
A Novel In Vitro Wound Healing Assay Using Free-Standing, Ultra-Thin PDMS Membranes
Authors: Uysal Karya , Firat Ipek Seda , Creutz Till , Aydin Inci Cansu , Artmann Gerhard M. , Teusch Nicole , Temiz Artmann Aysegül
Published: December 2022

Advances in polymer science have significantly increased polymer applications in life sciences. We report the use of free-standing, ultra-thin polydimethylsiloxane (PDMS) membranes, called CellDrum, as cell culture substrates for an in vitro wound model. Dermal fibroblast monolayers from 28- and 88-year-old donors were cultured on CellDrums. By using stainless steel balls, circular cell-free areas were created in the cell layer (wounding). Sinusoidal strain of 1 Hz, 5% strain, was applied to membranes for 30 min in 4 sessions. The gap circumference and closure rate of un-stretched samples (controls) and stretched samples were monitored over 4 days to investigate the effects of donor age and mechanical strain on wound closure. A significant decrease in gap circumference and an increase in gap closure rate were observed in trained samples from younger donors and control samples from older donors. In contrast, a significant decrease in gap closure rate and an increase in wound circumference were observed in the trained samples from older donors. Through these results, we propose the model of a cell monolayer on stretchable CellDrums as a practical tool for wound healing research. The combination of biomechanical cell loading in conjunction with analyses such as gene/protein expression seems promising beyond the scope published here.
Study of Hydrogen-Induced Plastic Damage Response of 7085-T7651 High-Strength Aluminum Alloy
Authors: Yang Xiao , Zhang Xianfeng , Chen Jieming , Wang Zhenzhong , Li Xuefeng , Zhang Xinyao , Gao Lingqing
Published: December 2022

The hydrogen-induced plastic loss behavior of titanium alloys is often reported, but there are relatively few studies on high-strength aluminum alloys. In this article, the hydrogen-induced plastic damage behavior of 7085-T7651 high-strength aluminum alloy was investigated using a tensile specimen with pre-charging hydrogen, and the microstructure was characterized by transmission electron microscopy, scanning electron microscopy and time-of-flight secondary ion mass spectrometry. The results showed that 7085-T7651 high-strength aluminum alloy material has certain hydrogen embrittlement sensitivities, and with the increase of hydrogen-charging time, the hydrogen content and sensitivity of the material increases significantly. For the first time, the theoretical analysis and intuitive quantitative characterization of the hydrogen-induced plastic loss behavior mechanism on 7085-T7651 high-strength aluminum alloy is stated as the formation of Mg and H segregation formed at the crystal boundary, which will result in the weakening of the crystal boundary.
Identifying Oxide and CaS Non-Metallic Inclusions in Steel with Raman Spectroscopy
Authors: Gyakwaa Francis , Alatarvas Tuomas , Shu Qifeng , Fabritius Timo
Published: December 2022

Identification and characterization play an essential role in the study of non-metallic inclusions (NMIs) in monitoring the steel casting process and product quality. This study uses Raman spectroscopy, a versatile, relatively fast, and non-destructive technique for characterizing oxide and sulfide-based inclusion phases in steel samples. The relative Raman peak intensities and positions were used to qualitatively estimate the inclusion phases of Al2O3, CA, C12A7, C3A, MgO·Al2O3, and CaS. For a quantitative estimation, FESEM-EDS (field emission scanning electron microscope with energy dispersive X-ray spectroscopy) was used to evaluate the inclusion phases in the samples. This study demonstrates that Raman spectroscopy can be used to rapidly estimate the content of Al2O3, magnesium aluminate spinel (MgO·Al2O3), and the calcium aluminate phases of CA, C3A, and C12A7 in steel samples to complement established characterization techniques for NMIs analysis such as FESEM-EDS.
A Survey on the Oxidation Behavior of a Nickel-Based Alloy Used in Natural Gas Engine Exhaust Valve Seats
Authors: Alano José , Siqueira Renato , Martins Júnior Claudio , Silva Rodrigo , Vacchi Guilherme , Rovere Carlos
Published: December 2022

This study reports the oxidation behavior of a Ni-based alloy used in the manufacture of valve seats for automotive engine exhaust systems. Isothermal thermogravimetric analyses were carried out at temperatures of 660, 740, 860, and 900 °C under an oxygen atmosphere for up to 1 h. At 660 and 740 °C, only one stage was observed during the whole time studied. At this stage, the oxide layer was formed mainly by NiO + Cr2O3, following a linear oxidation law with a rate constant (Kl) on the order of magnitude of 10−6 kg/m2s and an apparent activation energy (Ea) of ~47 kJ/mol. At 860 and 900 °C, an identical first stage was observed with a transition to a different stage. In the second stage, the oxidation layer was composed of Cr2O3, and a parabolic oxidation law was followed with a rate constant (Kp) on the order of 10−8 kg2/m4s and Ea of ~128 kJ/mol. Moreover, the Ni-based alloy formed a dense and compact oxide layer after oxidation, with no apparent cavities, pores, or microcracks. Characterization techniques such as Scanning Electron Microscopy (SEM), Energy-Dispersive X-ray Spectroscopy (EDS), Fourier Transform Infrared Spectroscopy (FTIR), and Raman Spectroscopy were carried out to characterize the formed oxide layer.
Strain Rate Effect on the Thermomechanical Behavior of NiTi Shape Memory Alloys: A Literature Review
Authors: Wang Zhengxiong , Luo Jiangyi , Kuang Wangwang , Jin Mingjiang , Liu Guisen , Jin Xuejun , Shen Yao
Published: December 2022

A review of experiments and models for the strain rate effect of NiTi Shape Memory Alloys (SMAs) is presented in this paper. Experimental observations on the rate-dependent properties, such as stress responses, temperature evolutions, and phase nucleation and propagation, under uniaxial loads are classified and summarized based on the strain rate values. The strain rates are divided into five ranges and in each range the deformation mechanism is unique. For comparison, results under other loading modes are also reviewed; however, these are shorter in length due to a limited number of experiments. A brief discussion on the influences of the microstructure on the strain-rate responses is followed. Modeling the rate-dependent behaviors of NiTi SMAs focuses on incorporating the physical origins in the constitutive relationship. Thermal source models are the key rate-dependent constitutive models under quasi-static loading to account for the self-heating mechanism. Thermal kinetic models, evolving from thermal source models, address the kinetic relationship in dynamic deformation.
Effects of Micro-Shot Peening on the Stress Corrosion Cracking of Austenitic Stainless Steel Welds
Authors: Kang Chia-Ying , Chen Tai-Cheng , Tsay Leu-Wen
Published: December 2022

Micro-shot peening on AISI 304 and 316 stainless steel (SS) laser welds was performed to evaluate its effect on the susceptibility to stress corrosion cracking (SCC) in a salt spray containing 10% NaCl at 80 °C. The cracking susceptibility of the welds was disclosed by testing U-bend specimens in a salt spray. Micro-shot peening caused an intense but narrow deformed layer with a nanocrystal structure and residual compressive stress. Austenite to martensite transformation occurred heavily on the top surface of the micro-shot peened welds. SCC microcracks were more likely to be initiated at the fusion boundary (FB) of the non-peened welds. However, fine pits were formed more easily on the micro-shot peened 304 fusion zone (FZ), which was attributed to the extensive formation of strain-induced martensite. The nanograined structure and induced residual compressive stress in the micro-shot peened layer suppressed microcrack initiation in the 304 and 316 welds in a salt spray. Compared with the other zones in the welds in a salt spray, the high local strain at the FB was the cause of the high cracking susceptibility and could be mitigated by the micro-shot peening treatment.
In Vitro Animal Model for Estimating the Time since Death with Attention to Early Postmortem Stage
Authors: Szeremeta Michal , Samczuk Paulina , Pietrowska Karolina , Kowalczyk Tomasz , Przeslaw Katarzyna , Sieminska Julia , Kretowski Adam , Niemcunowicz-Janica Anna , Ciborowski Michal
Published: December 2022

Estimating the postmortem interval (PMI) has remained the subject of investigations in forensic medicine for many years. Every kind of death results in changes in metabolites in body tissues and fluids due to lack of oxygen, altered circulation, enzymatic reactions, cellular degradation, and cessation of anabolic production of metabolites. Metabolic changes may provide markers determining the time since death, which is challenging in current analytical and observation-based methods. The study includes metabolomics analysis of blood with the use of an animal model to determine the biochemical changes following death. LC-MS is used to fingerprint postmortem porcine blood. Metabolites, significantly changing in blood after death, are selected and identified using univariate statistics. Fifty-one significant metabolites are found to help estimate the time since death in the early postmortem stage. Hypoxanthine, lactic acid, histidine, and lysophosphatidic acids are found as the most promising markers in estimating an early postmortem stage. Selected lysophosphatidylcholines are also found as significantly increased in blood with postmortal time, but their practical utility as PMI indicators can be limited due to a relatively low increasing rate. The findings demonstrate the great potential of LC-MS-based metabolomics in determining the PMI due to sudden death and provide an experimental basis for applying this attitude in investigating various mechanisms of death. As we assume, our study is also one of the first in which the porcine animal model is used to establish PMI metabolomics biomarkers.
Salivary Metabolomics for Systemic Cancer Diagnosis: A Systematic Review
Authors: Nijakowski Kacper , Zdrojewski Jakub , Nowak Monika , Gruszczyński Dawid , Knoll Filip , Surdacka Anna
Published: December 2022

Cancers are the leading cause of death worldwide. The most common cancers include breast, lung, and colorectum. Salivary metabolome profiling is a novel non-invasive method in oncological diagnosis. This systematic review was designed to answer the question “Are salivary metabolites reliable for the diagnosis of systemic cancers?”. Following the inclusion and exclusion criteria, nineteen studies were included (according to PRISMA statement guidelines). Changes in salivary metabolome were most commonly determined in patients with breast cancer, gastrointestinal cancers, and lung cancer. Most studies involved unstimulated whole saliva as the diagnostic material, evaluated by different spectroscopic methods. Among the found saliva metabolites, the alterations in the metabolic pathways of amino acids and polyamines were most frequently observed, which showed significant predictive values in oncological diagnostics. The most frequently encountered risks of bias were the absence of data regarding blinding, sample size justification, and randomisation. In conclusion, salivary metabolites seem to be potentially reliable for detecting the most common systemic cancers. However, further research is desirable to confirm these outcomes and to detect new potential metabolic biomarkers in saliva.
Characterization and Functionalization Approaches for the Study of Polymeric Nanoparticles: The State of the Art in Italian Research
Authors: Todaro Biagio , Santi Melissa
Published: December 2022

Polymeric nanoparticles (PNPs) are a group of nanocarriers employed in a wide range of applications. Characterization is a fundamental step in PNPs formulation and many basic techniques are available to provide chemical-physical information such as dimensions, surface potential, stability and solubility. Recently, these techniques have been implemented with more innovative ones to obtain more precise knowledge of the nanomaterials. In this review we analyzed the state of the art in the field of polymeric nanoparticles produced by Italian laboratories. We described all methods available for PNPs characterization with their applications as drug delivery systems. We also reported the different types of molecules that were recently used for PNPs functionalization, a fundamental step in delivering drugs specifically to their targets and then resulting in reduced side effects in patients.
Occurrence and Molecular Characterization of Potentially Pathogenic Vibrio spp. in Seafood Collected in Sicily
Authors: Castello Annamaria , Alio Vincenzina , Sciortino Sonia , Oliveri Giuseppa , Cardamone Cinzia , Butera Gaspare , Costa Antonella
Published: December 2022

Seafood can vehiculate foodborne illnesses from water to humans. Climate changes, increasing water contamination and coastlines anthropization, favor the global spread of Vibrio spp. and the occurrence of antibiotic-resistant isolates. The aim of this study was to evaluate the spread of potentially pathogenic Vibrio spp. in fishery products collected in Sicily and to assess their antibiotic resistance. Bacteriological and molecular methods were applied to 603 seafood samples to detect V. parahaemolyticus, V. cholerae, V. vulnificus, and Vibrio alginolyticus in order to assess their pathogenicity and antimicrobial resistance. About 30% of bivalves and 20% of other fishery products were contaminated by Vibrio spp.; V. parahaemolyticus accounted for 43/165 isolates, 3 of which were carrying either tdh or trh; V. cholerae accounted for 12/165 isolates, all of them non-O1 non-O139 and none carrying virulence genes; and V. vulnificus accounted for 5/165 isolates. The highest rates of resistance were observed for ampicillin, but we also detected strains resistant to antibiotics currently included among the most efficient against Vibrio spp. In spite of their current low incidence, their rise might pose further issues in treating infections; hence, these results stress the need for a continuous monitoring of antimicrobial resistance among fishery products and an effective risk assessment.
Characterization of PVL-Positive MRSA Isolates in Northern Bavaria, Germany over an Eight-Year Period
Authors: Szumlanski Tobias , Neumann Bernd , Bertram Ralph , Simbeck Alexandra , Ziegler Renate , Monecke Stefan , Ehricht Ralf , Schneider-Brachert Wulf , Steinmann Joerg
Published: December 2022

Purpose: Community-acquired methicillin-resistant Staphylococcus aureus strains (CA-MRSA) are spread worldwide and often cause recurring and persistent infections in humans. CA-MRSA strains frequently carry Panton–Valentine leukocidin (PVL) as a distinctive virulence factor. This study investigates the molecular epidemiology, antibiotic resistance and clinical characteristics of PVL-positive MRSA strains in Northern Bavaria, Germany, isolated over an eight-year period. Methods: Strains were identified by MALDI-TOF MS and antibiotic susceptibility was tested by automated microdilution (VITEK 2) or disk diffusion. PVL-encoding genes and mecA were detected by PCR. MRSA clonal complexes (CC) and lineages were assigned by genotyping via DNA microarray and spa-typing. Results: In total, 131 PVL-positive MRSA were collected from five hospital sites between 2009 and 2016. Predominant lineages were CC8-MRSA-[IV+ACME], USA300 (27/131; 20.6%); CC30-MRSA-IV, Southwest Pacific Clone (26/131; 19.8%) and CC80-MRSA-IV (25/131; 19.1%). Other CCs were detected less frequently. Resistance against erythromycin and clindamycin was prevalent, whereas all strains were sensitive towards vancomycin and linezolid. In total, 100 cases (76.3%) were causally linked to an infection. The majority (102/131; 77.9%) of isolates were detected in skin swabs or swabs from surgical sites. Conclusions: During the sample period we found an increase in the PVL-positive MRSA lineages CC30 and CC1. Compared to less-abundant lineages CC1 or CC22, the predominant lineages CC8, CC30 and CC80 harbored a broader resistance spectrum. Furthermore, these lineages are probably associated with a travel and migration background. In the spatio-temporal setting we investigated, these were arguably drivers of diversification and change in the landscape of PVL-positive MRSA.
Characterization of Five Psychrotolerant Alcanivorax spp. Strains Isolated from Antarctica
Authors: Cappello Simone , Corsi Ilaria , Patania Sabrina , Bergami Elisa , Azzaro Maurizio , Mancuso Monique , Genovese Maria , Lunetta Alessia , Caruso Gabriella
Published: December 2022

Five psychrotolerant Alcanivorax spp. strains were isolated from Antarctic coastal waters. Strains were screened for molecular and physiological properties and analyzed regarding their growth capacity. Partial 16S rDNA, alk-B1, and P450 gene sequencing was performed. Biolog EcoPlates and the API 20E test were used to evaluate metabolic and biochemical profiles. Bacterial growth in sodium acetate was determined at 4, 15, 20, and 25 °C to evaluate the optimal temperature. Furthermore, the ability of each strain to grow in a hydrocarbon mixture at 4 and 25 °C was assayed. Biosurfactant production tests (drop-collapse and oil spreading) and emulsification activity tests (E24) were also performed. Concerning results of partial gene sequencing (16S rDNA, alk-B1, and P450), a high similarity of the isolates with the same genes isolated from other Alcanivorax spp. strains was observed. The metabolic profiles obtained by Biolog assays showed no significant differences in the isolates compared to the Alcanivorax borkumensis wild type. The results of biodegradative tests showed their capability to grow at different temperatures. All strains showed biosurfactant production and emulsification activity. Our findings underline the importance to proceed in the isolation and characterization of Antarctic hydrocarbon-degrading bacterial strains since their biotechnological and environmental applications could be useful even for pollution remediation in polar areas.
Long-Term Manure Amendment Sustains Black Soil Biodiversity by Mitigating Acidification Induced by Chemical N Fertilization
Authors: Sun Lei , Yu Yongjie , Petropoulos Evangelos , Cui Xiaoyang , Wang Shuang
Published: December 2022

The long-term use of chemical N fertilization may have a negative impact upon soil fertility and quality. On the contrary, organic fertilization is considered a sustainable development agricultural strategy. However, the remediation effect of organic fertilization on agroecosystems remains unclear. This study was conducted in a long-term (1979–2020) field experiment to investigate the influence of organic and chemical fertilizers on the soil microbiome assembly processes. The experiment consisted of six treatments: chemical N fertilization (N), double N fertilization (N2), organic fertilization (M), organic and N fertilization (MN), double organic and N fertilization (M2N2), and unfertilized control. The chemical N fertilization (N and N2) treatments significantly decreased soil microbial diversity, as well as soil pH, compared to the Control treatments (p < 0.05). MN and M2N2 treatments increased microbial diversity compared to that of N and N2 treatments. The combination of organic and chemical N fertilizer recovered the decreased microbial diversity to the level of the Control and M treatments, but the application of double organic fertilizer (M2N2) still showed a significantly lower microbial diversity than that of the Control and M treatments. From the results of the microbial community assembly processes, it was found that environmental filtering was induced by N fertilization, while organic fertilization developed a stochastic process and mitigated the role of environmental filtering in the community assembly process. An ecological network analysis showed that the decrease in Acidobacteria in organic fertilization treatments played a key role in mitigating the soil acidification induced by 40-year chemical N fertilization. It indicated that organic fertilizer could mitigate the decrease in soil fertility induced by chemical N fertilization. Higher environmental filtering effects in M2N2 than those in MN treatments suggested that the mitigation effect of organic fertilizer was weakened when double chemical N fertilization was applied in black soils. These results are helpful for a unified understanding of the ecological processes for microbial communities in the development of sustainable agriculture.
Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene Aggregates
Authors: Dai Yasi , Calzolari Alessandro , Zubiria-Ulacia Maria , Casanova David , Negri Fabrizia
Published: December 2022

Intermolecular interactions modulate the electro-optical properties of molecular materials and the nature of low-lying exciton states. Molecular materials composed by oligoacenes are extensively investigated for their semiconducting and optoelectronic properties. Here, we analyze the exciton states derived from time-dependent density functional theory (TDDFT) calculations for two oligoacene model aggregates: naphthalene and anthracene dimers. To unravel the role of inter-molecular interactions, a set of diabatic states is selected, chosen to coincide with local (LE) and charge-transfer (CT) excitations within a restricted orbital space including two occupied and two unoccupied orbitals for each molecular monomer. We study energy profiles and disentangle inter-state couplings to disclose the (CT) character of singlet and triplet exciton states and assess the influence of inter-molecular orientation by displacing one molecule with respect to the other along the longitudinal translation coordinate. The analysis shows that (CT) contributions are relevant, although comparably less effective for triplet excitons, and induce a non-negligible mixed character to the low-lying exciton states for eclipsed monomers and for small translational displacements. Such (CT) contributions govern the La/Lb state inversion occurring for the low-lying singlet exciton states of naphthalene dimer and contribute to the switch from H- to J-aggregate type of the strongly allowed Bb transition of both oligoacene aggregates.
An Efficient Processing Strategy to Improve the Flavor Profile of Egg Yolk: Ozone-Mediated Oxidation
Authors: Chen Bao , Sun Yi , Jin Haobo , Wang Qi , Li Zhe , Jin Yongguo , Sheng Long
Published: December 2022

This study investigated the effect of ozone treatment on egg yolk volatiles and fatty acids. The composition and content of volatile substances and the fatty acid content of the egg yolk were changed significantly after ozonation. With proper ozone treatment (30 min), the aldehyde content in the egg yolk increased from 78.08% to 94.63%, and the relative content of dibutyl amine decreased from 1.50% to 0.00%. There were no significant differences among the types of fatty acids in the egg yolks after being treated with ozone, but there were differences in their relative contents. The results of SDS-PAGE showed no significant difference in yolk protein composition and contents among the groups. SEM results showed that moderate ozone treatment (20 min and 30 min) led to a regular and dense network structure of egg yolk. These results provided a theoretical basis for expanding the application of ozone technology in the egg yolk processing industry.
A Rapid Therapeutic Drug Monitoring Strategy of Carbamazepine in Serum by Using Coffee-Ring Effect Assisted Surface-Enhanced Raman Spectroscopy
Authors: Zhu Qingxia , Li Xinhang , Li Dan , Lu Feng , Zhao Yunli , Yuan Yongfang
Published: December 2022

Carbamazepine (CBZ) has a narrow therapeutic concentration range, and therapeutic drug monitoring (TDM) is necessary for its safe and effective individualized medication. This study aims to develop a procedure for CBZ detection in serum using coffee-ring effect assisted surface-enhanced Raman spectroscopy (SERS). Silver nanoparticles deposited onto silicon wafers were used as the SERS-active material. Surface treatment optimization of the silicon wafers and the liquid–liquid extraction method were conducted to eliminate the influence of impurities on the silicon wafer surface and the protein matrix. The proposed detection procedure allows for the fast determination of CBZ in artificially spiked serum samples within a concentration range of 2.5–40 μg·mL−1, which matches the range of the drug concentrations in the serum after oral medication. The limit of detection for CBZ was found to be 0.01 μg·mL−1. The developed method allowed CBZ and its metabolites to be ultimately distinguished from real serum samples. The developed method is anticipated to be a potential tool for monitoring other drug concentrations.
Click Chemistry of Melamine Dendrimers: Comparison of “Click-and-Grow” and “Grow-Then-Click” Strategies Using a Divergent Route to Diversity
Authors: Numai Sanami , Yoto Risako , Kimura Masataka , Simanek Eric E. , Kitano Yoshikazu
Published: December 2022

Dendrimers are attractive macromolecules for a broad range of applications owing to their well-defined shapes and dimensions, highly branched and globular architectures, and opportunities for exploiting multivalency. Triazine dendrimers in particular offer advantages such as ease of synthesis, stability, well-defined spherical structure, multivalency, potential to achieve acceptable drug loadings, and low polydispersity. In this study, the potential utility of alkyne-azide “click” cycloadditions of first-, second-, and third-generation triazine dendrimers containing three or six alkynyl groups with benzyl azide was examined using copper catalysts. “Click-and-grow” and “grow-then-click” strategies were employed. For the first- and second- generation dendrimers, the desired triazole derivatives were obtained in high yields and purified by simple reprecipitation without column chromatography; however, some difficulties were observed in the preparation of third-generation dendrimers. The desired reaction proceeded under microwave irradiation as well as with simple heating. This click chemistry can be utilized for various melamine dendrimers that are fabricated with other amine linkers.
Recent Progresses in Solution-Processed Tandem Organic and Quantum Dots Light-Emitting Diodes
Authors: Meng Shu-Guang , Zhu Xiao-Zhao , Zhou Dong-Ying , Liao Liang-Sheng
Published: December 2022

Solution processes have promising advantages of low manufacturing cost and large-scale production, potentially applied for the fabrication of organic and quantum dot light-emitting diodes (OLEDs and QLEDs). To meet the expected lifespan of OLEDs/QLEDs in practical display and lighting applications, tandem architecture by connecting multiple light-emitting units (LEUs) through a feasible intermediate connection layer (ICL) is preferred. However, the combination of tandem architecture with solution processes is still limited by the choices of obtainable ICLs due to the unsettled challenges, such as orthogonal solubility, surface wettability, interfacial corrosion, and charge injection. This review focuses on the recent progresses of solution-processed tandem OLEDs and tandem QLEDs, covers the design and fabrication of various ICLs by solution process, and provides suggestions on the future challenges of corresponding materials and devices, which are anticipated to stimulate the exploitation of the emerging light technologies.
Raman Spectroscopy and Imaging Studies of Human Digestive Tract Cells and Tissues—Impact of Vitamin C and E Supplementation
Authors: Beton-Mysur Karolina , Brozek-Pluska Beata
Published: December 2022

Cancers of digestive tract such as colorectal cancer (CRC) and gastric cancer (GC) are the most commonly detected types of cancer worldwide and their origin can be associated with oxidative stress conditions. Commonly known and followed antioxidants, such as vitamin C and E, are widely considered as potential anti-cancer agents. Raman spectra have great potential in the biochemical characterization of matter based on the fact that each molecule has its own unique vibrational properties. Raman spectroscopy allows to precisely characterize components (proteins, lipids, nucleic acids). The paper presents the application of the Raman spectroscopy technique for the analysis of tissue samples and cells of the human colon and stomach. The main goal of this study is to show the differences between healthy and cancerous tissues from the human digestive tract and human normal and cancer colon and gastric cell lines. The paper presents the spectroscopic characterization of normal colon cells, CCD-18 Co, in physiological and oxidative conditions and effect of oxidative injury of normal colon cells upon supplementation with vitamin C at various concentrations based on Raman spectra. The obtained results were related to the Raman spectra recorded for human colon cancer cells—CaCo-2. In addition, the effect of the antioxidant in the form of vitamin E on gastric cancer cells, HTB-135, is presented and compared with normal gastric cells—CRL-7869. All measured gastric samples were biochemically and structurally characterized by means of Raman spectroscopy and imaging. Statistically assisted analysis has shown that normal, ROS injured and cancerous human gastrointestinal cells can be distinguished based on their unique vibrational properties. ANOVA tests, PCA (Principal Component Analysis) and PLSDA (Partial Least Squares Discriminant Analysis) have confirmed the main role of nucleic acids, proteins and lipids in differentiation of human colon and stomach normal and cancer tissues and cells. The conducted research based on Raman spectra proved that antioxidants in the form of vitamin C and E exhibit anti-cancer properties. In consequence, conducted studies proved that label-free Raman spectroscopy may play an important role in clinical diagnostic differentiation of human normal and cancerous gastrointestinal tissues and may be a source of intraoperative information supporting histopathological analysis.
The Conformations of Isolated Gallic Acid: A Laser-Ablation Rotational Study
Authors: Verde Andrés , Blanco Susana , López Juan Carlos
Published: December 2022

The rotational spectrum of laser-ablated gallic acid has been recorded using CP-FTMW spectroscopy. Two rotamers have been detected, and their rotational spectra have been assigned and analyzed to obtain the molecular spectroscopic parameters. The observed rotamers have been unambiguously identified in the light of theoretical computations, based on the comparison of the experimental line intensities and rotational parameters with the rotational constants and electric dipole moments predicted from theoretical calculations. The values of the planar inertial moments confirm that the observed conformers are planar, and their relative stability and population have been determined from relative intensity measurements. The B3LYP-D3/6-311++G(2d,p) level has been shown to be the best method among a series of levels normally used to predict the rotational parameters in rotational spectroscopy. In the observed conformers, the three adjacent OH groups are arranged in a sequential form, and the only difference between them lies in the orientation of the COOH group. Although weak attractive OH···O interactions seem to exist, the analysis of the electron density topology does not show the existence of any critical point corresponding to these interactions.
Neighbourhood Sum Degree-Based Indices and Entropy Measures for Certain Family of Graphene Molecules
Authors: Yang Jun , Konsalraj Julietraja , Raja S. Arul Amirtha
Published: December 2022

A topological index (TI) is a real number that defines the relationship between a chemical structure and its properties and remains invariant under graph isomorphism. TIs defined for chemical structures are capable of predicting physical properties, chemical reactivity and biological activity. Several kinds of TIs have been defined and studied for different molecular structures. Graphene is the thinnest material known to man and is also extremely strong while being a good conductor of heat and electricity. With such unique features, graphene and its derivatives have found commercial uses and have also fascinated theoretical chemists. In this article, the neighbourhood sum degree-based M-polynomial and entropy measures have been computed for graphene, graphyne and graphdiyne structures. The proper analytical expressions for these indices are derived. The obtained results will enable theoretical chemists to study these exciting structures further from a structural perspective.
Synthesis and Evaluation of Reactive Oxygen Species Sensitive Prodrugs of a NAMPT Inhibitor FK866
Authors: Xu Zili , Wang Huihui , Liu Haixia , Chen Hongli , Jiang Biao
Published: December 2022

NAMPT is an attractive target in cancer therapy and numerous NAMPT inhibitors have been developed. However, the clinical activities of NAMPT inhibitors have displayed disappointing results in clinical trials for their dose-limiting toxicities. In this study, reactive oxygen species (ROS)-responsive prodrugs of a NAMPT inhibitor FK866 were designed and synthesized. A short synthesis method was developed to shield the activity of FK866 through a quaternary ammonium connection. Two prodrugs, with boronic acid as a responsive group to ROS, were prepared and one of the prodrugs 122-066 also contained a fluorescence carrier. Both of the prodrugs released the active compound by the treatment of H2O2,, and the biological evaluation showed that they exhibited a higher potency in cells with high levels of ROS. Moreover, prodrug 122-066 had the ability to release FK866 and simultaneously induce the fluorescence activation under the stimulation of H2O2. This method has the potential to improve the therapeutic window of NAMPT inhibitors.
Migration Modeling as a Valuable Tool for Exposure Assessment and Risk Characterization of Polyethylene Terephthalate Oligomers
Authors: Schreier Verena N. , Odermatt Alex , Welle Frank
Published: December 2022

Polyethylene terephthalate (PET) is one of the most widely used food contact materials due to its excellent mechanical properties and recyclability. Migration of substances from PET and assessment of compliance are usually determined by experimental testing, which can be challenging depending on the migrants of interest. Low concentrations and missing reference standards, among other factors, have led to inadequate investigation of the migration potential of PET oligomers. Migration modeling can overcome such limitations and is therefore a suitable starting point for exposure and risk assessment. In this study, the activation energy-based (EA) model and the AP model were used to systematically evaluate the migration potential of 52 PET oligomers for 12 different application scenarios. Modeling parameters and conditions were evaluated to investigate their impact and relevance on the assessment of realistic exposures. Obtained results were compared with safety thresholds known from the concept of toxicological thresholds of concern. This allowed the evaluation and identification of oligomers and/or applications where migration or exposure levels may be associated with a potential risk because they exceed these safety thresholds. Overall, this study demonstrated that migration modeling can be a high-throughput, fast, flexible, and suitable approach for comprehensive exposure assessment.
Biomimetic Approaches to “Transparent” Photovoltaics: Current and Future Applications
Authors: Pompilio Michele , Ierides Ioannis , Cacialli Franco
Published: December 2022

There has been a surge in the interest for (semi)transparent photovoltaics (sTPVs) in recent years, since the more traditional, opaque, devices are not ideally suited for a variety of innovative applications spanning from smart and self-powered windows for buildings to those for vehicle integration. Additional requirements for these photovoltaic applications are a high conversion efficiency (despite the necessary compromise to achieve a degree of transparency) and an aesthetically pleasing design. One potential realm to explore in the attempt to meet such challenges is the biological world, where evolution has led to highly efficient and fascinating light-management structures. In this mini-review, we explore some of the biomimetic approaches that can be used to improve both transparent and semi-transparent photovoltaic cells, such as moth-eye inspired structures for improved performance and stability or tunable, coloured, and semi-transparent devices inspired by beetles’ cuticles. Lastly, we briefly discuss possible future developments for bio-inspired and potentially bio-compatible sTPVs.