bluuebunny/crossref_metadata_2025 huggingface dataset:
Mechanical Properties of α-Chitin and Chitosan Biocomposite: A Molecular Dynamic Study
Authors: Salavati Mohammad
Published: November 2023

This study investigates the mechanical properties of α-chitin and chitosan biocomposites using molecular dynamics (MD) and stress–strain analyses under uniaxial tensile loading in an aqueous environment. Our models, validated against experimental data, show that α-chitin has a higher directional elastic modulus of 51.76 GPa in the x and 39.76 GPa in the y directions compared to its chitosan biocomposite, with 31.66 GPa and 26.00 GPa in the same directions, demonstrating distinct mechanical behaviors between α-chitin and the biocomposite. The greater mechanical stiffness of α-chitin can be attributed to its highly crystalline molecular structure, offering potential advantages for applications requiring load-bearing capabilities. These findings offer valuable insights for optimizing these materials for specialized applications.
Scalable Optical Convolutional Neural Networks Based on Free-Space Optics Using Lens Arrays and a Spatial Light Modulator
Authors: Ju Young-Gu
Published: November 2023

A scalable optical convolutional neural network (SOCNN) based on free-space optics and Koehler illumination was proposed to address the limitations of the previous 4f correlator system. Unlike Abbe illumination, Koehler illumination provides more uniform illumination and reduces crosstalk. The SOCNN allows for scaling of the input array and the use of incoherent light sources. Hence, the problems associated with 4f correlator systems can be avoided. We analyzed the limitations in scaling the kernel size and parallel throughput and found that the SOCNN can offer a multilayer convolutional neural network with massive optical parallelism.
Mitochondrial Dynamics in Ovarian Cancer: Pathophysiology and Therapeutic Implications
Authors: Kobayashi Hiroshi , Yoshimoto Chiharu , Matsubara Sho , Shigetomi Hiroshi , Imanaka Shogo
Published: November 2023

Background: Ovarian cancer is often characterized by aggressive growth and chemoresistance, leading to a poor prognosis. The energy and nutrient acquisition through metabolic reprogramming has been reported to facilitate cancer cell proliferation, invasion, and metastasis. Therefore, a therapeutic strategy to consider is to rewire energy metabolism. Mitochondrial dynamics have a profound impact on the metabolic profiles. In this review, we summarize the current understanding of the molecular mechanisms governing mitochondrial dynamics and their impact on cell proliferation and invasion and discuss future perspectives for therapeutic strategies and research directions. Methods: A search was conducted for literature published up to 30 June 2023 using the online databases PubMed and Google Scholar in this narrative literature review. Results: Mitochondria are essential for regulating metabolic reprogramming to meet the increasing energy demand for rapid cancer cell proliferation and invasion. A metabolic switch from OXPHOS to glycolysis may promote invasion, and OXPHOS-driven metabolism may be associated with proliferation, chemoresistance, and stemness. Many ovarian cancer cells are known to favor glycolysis over OXPHOS, but the opposite takes place in the subpopulation of cancer cells. The preference for glycolysis versus OXPHOS in ovarian cancer cells may be determined by histopathologic types, the unique genetic profile of energy metabolism, and intrinsic (e.g., oncogenic signaling) and extrinsic (e.g., nutritional status and hypoxia) factors. Conclusions: Preclinical studies suggest that mitochondrial dynamics regulators have therapeutic potential in ovarian cancer, but some factors limit their beneficial effects.
On the Species Identification of Korean Geoduck Clam (Panopea sp. 1) Based on the Morphological and Molecular Evidence
Authors: Han Jeonghoon , Kim Jong Guk , Kwon O-Nam , Park Jordan Jun Chul , Lee Kyun-Woo , Choi Young-Ung
Published: November 2023

The geoduck clam is a high-value species in South Korea. However, the molecular and morphological characteristics of geoduck clams from the southern coast of South Korea remain unexamined. The accurate identification of native geoduck clams is crucial for their conservation and management. Therefore, this study used a combination of molecular and morphological analyses to characterize native geoduck clams from the southern coast of South Korea. Based on complete mitochondrial genome and morphological analyses, the native species of geoduck clam from this study area was identified as Panopea sp. 1. The complete mitochondrial genome sequencing of Panopea sp. 1 revealed a total of 16,225 bp in length with 37 genes (13 protein-coding genes, 22 tRNA genes, and 2 rRNA genes). It was also shown that Panopea sp. 1 belongs to the family Hiatellidae based on a phylogenetic analysis tree with 11 bivalve species. In particular, Panopea sp. 1 is closely related to three other Panopea species (Panopea sp., Panopea abrupta, and Panopea japonica). The phylogenetic analysis correlated with the morphological analysis. Overall, this is the first reliable record of Panopea sp. 1 in South Korea. These findings provide a basis for accurate species identification based on morphological characteristics and complete mitochondrial genome sequencing.
Ocean Color Image Sequences Reveal Diurnal Changes in Water Column Stability Driven by Air–Sea Interactions
Authors: Jolliff Jason K. , Smith Travis A. , Ladner Sherwin , Jarosz Ewa , Lewis Mark David , Anderson Stephanie , McCarthy Sean , Lawson Adam
Published: November 2023

The southward propagation of cold-air frontal boundaries into the Gulf of Mexico region initiates a cascade of coupled air–sea processes that manifests along the coastlines as an apparent brightness anomaly in the ocean color signals. Our hypothesis is that the color anomaly is largely due to the turbulent resuspension of sedimentary particles. Initially, there is significant wind-driven ocean turbulence as the frontal boundary passes, followed by the potential for sustained convective instability due to significant heat losses from the ocean surface. These cold front events occur during boreal autumn, winter, and into early spring, and the latter episodes occur in the context of the seasonally recurring thermal stratification of shelf waters. Here, we show that as stratification reasserts thermal stability in the waning days of a cold front episode, daily to hourly ocean color patterns are temporally coherent with the air–sea heat flux changes and the resulting impact on water column stability. Concomitant results from a nested, data-assimilative, and two-way coupled ocean-atmosphere numerical modeling system provides both corroboration and insight into how surface air–sea fluxes and in-water turbulent mixing manifest as hourly changes in apparent surface water turbidity due to the potential excitation and settling of reflective particles. A simple model of particle mixing and settling driven by the simulated turbulence mimics patterns seen in the satellite image sequences. This study offers a preview of potential application areas that may emerge following the launch of a dedicated ocean color geostationary sensor.
Comparison of Advanced Control Strategies Applied to a Multiple-Degrees-of-Freedom Wave Energy Converter: Nonlinear Model Predictive Controller versus Reinforcement Learning
Authors: Haider Ali S. , Bubbar Kush , McCall Alan
Published: November 2023

Achieving energy maximizing control of a Wave Energy Converter (WEC) not only needs a comprehensive dynamic model of the system—including nonlinear hydrodynamic effects and nonlinear characteristics of Power Take-Off (PTO)—but to treat the entire system using an integrated approach, i.e., as a cyber–physical system considering the WEC dynamics, control strategy, and communication interface. The resulting energy-maximizing optimization formulation leads to a non-quadratic and nonstandard cost function. This article compares the (1) Nonlinear Model Predictive Controller (NMPC) and (2) Reinforcement Learning (RL) techniques as applied to a class of multiple-degrees-of-freedom nonlinear WEC–PTO systems subjected to linear as well as nonlinear hydrodynamic conditions in simulation, using the WEC-Sim™ toolbox. The results show that with an optimal choice of RL agent and hyperparameters, as well as suitable training conditions, the RL algorithm is more robust under more stringent operating requirements, for which the NMPC algorithm fails to converge. Further, RL agents are computationally efficient on real-time target machines with a significantly reduced Task Execution Time (TET).
Sloshing Response of an Aquaculture Vessel: An Experimental Study
Authors: Tao Yanwu , Zhu Renqing , Gu Jiayang , Wei Qi , Hu Fangxin , Xu Xiaosen , Zhang Zhongyu , Li Zhiyu
Published: November 2023

The sloshing response is crucial to the design and operation of aquaculture vessels and affects the safety of the culture equipment and the efficiency of the culture operation. A 1/50 scaled model was utilized to investigate the coupled sloshing response characteristics of a novel aquaculture vessel in a wave basin. Two wave directions (beam and head wave) and two filling levels (81.5% and 47.4%) are taken into account. The time-domain and frequency-domain characteristics of the sloshing response under the linear regular wave and extreme operational sea state were investigated using regular wave tests and irregular wave tests, respectively. The sloshing mechanism in the aquaculture tanks is complicated, due to the coupling effect between external waves, ship motion, and internal sloshing. In linear regular waves, the wave frequency mode dominates the sloshing response, which is larger under beam wave conditions than under head wave conditions and larger under half load conditions than full load conditions. The irregular wave test results confirmed the regular wave test conclusions, but the sloshing response has stronger nonlinearity, higher natural modes appeared, and the amplitude of the higher natural modes is also relatively larger.
Taxonomic and Phylogenetic Updates on Apiospora: Introducing Four New Species from Wurfbainia villosa and Grasses in China
Authors: Liao Chunfang , Senanayake Indunil Chinthani , Dong Wei , Thilini Chethana Kandawatte Wedaralalage , Tangtrakulwanich Khanobporn , Zhang Yunxia , Doilom Mingkwan
Published: November 2023

Apiospora, an ascomycetous genus in Apiosporaceae, comprises saprobes, endophytes, and pathogens of humans and plants. They have a cosmopolitan distribution with a wide range of hosts reported from Asia. In the present study, we collected and isolated Apiospora species from Wurfbainia villosa and grasses in Guangdong and Yunnan provinces in China. Multi-locus phylogeny based on the internal transcribed spacer, the large subunit nuclear rDNA, the partial translation elongation factor 1-α, and β-tubulin was performed to clarify the phylogenetic affinities of the Apiospora species. Based on the distinctive morphological characteristics and molecular evidence, Ap. endophytica, Ap. guangdongensis, Ap. wurfbainiae, and Ap. yunnanensis are proposed. Descriptions, illustrations, and notes for the newly discovered species are provided and compared with closely related Apiospora species. An updated phylogeny of Apiospora is presented, along with a discussion on the phylogenetic affinities of ambiguous taxa.
Managing Facilities in Historic Buildings: A Stewardship-Based Strategy for Long-Term Socio-economic Value
Authors: Hunt Billy Edward , Mayouf Mohammad , Ashayeri Ilnaz , Ekanayake E. M. A. C. , Nikologianni Anastasia
Published: November 2023

The challenges of historic building adaption for reuse are well documented and often refer to building fabric, listed status, historical significance, environmental sustainability, and structural layout as limitations to their successful re-development. However, few studies have explored how such issues manifest in the operational use of historic buildings developed for reuse, the significance on cities, and the long-term socioeconomic value. This study proposes a stewardship-based strategy to manage facilities to improve the socioeconomic value of historic buildings and support the socioeconomic demand in cities and territories. Within the context of a selected case study in the UK, a mixed-method approach was used to attain the data. Quantitative evidence, using a questionnaire survey with building users, and qualitative evidence, using semi-structured interviews with the facility management team, are presented. The results suggest that historic buildings are empowered by an organisational stewardship strategy, resulting in an acceptable operational compromise that involves an acceptance of building issues and their impact on the building users’ experience, and this can support the more operational adaption of facilities by the facility management team. The research proposes a stewardship-based strategy to support an improved socioeconomic value by incorporating user perspectives while ensuring a less preservation-centred and a more flexible-oriented approach towards managing facilities in historic buildings. This study constructively forms a base for further research into facility management strategies in historic buildings and their impact on cities’ needs.
The Welfare Landscape and Densification—Residents’ Relations to Local Outdoor Environments Affected by Infill Development
Authors: Jansson Märit , Schneider Julia
Published: November 2023

Densification through infill developments is a common planning strategy where both advantages and problems have been brought forward. However, the knowledge on how such developments affect residents and their relations to local outdoor environments is limited. Also, modernist areas have been highlighted as planning heritage with specific values. We studied the case of a multi-family housing area in Uppsala, Sweden, originally planned in the 1960s as part of the Swedish modernist welfare era and later affected by densification through infill development. The mixed-methods approach included document analysis and observations followed by an online survey focused on the use of, perceived qualities of and satisfaction with outdoor environments among residents. The results revealed the heritage of careful planning during the 1960s concerning green space availability and solutions limiting car traffic, with recent densification affecting different sub-areas to various degrees. Respondents living in non-densified sub-areas reported higher levels of satisfaction, more qualities and a more varied use of the outdoor environment compared to in densified sub-areas. However, the management level was considered too low in mainly one of the non-densified sub-areas. Many respondents brought up the loss of qualities in their local outdoor environment through the infill development, both during the construction work and in the result, with less green spaces and increased car traffic. This study revealed large negative effects for residents of densification that focuses on density without securing sufficient qualities in the outdoor environment but also of neglected open space management.
Coastal Biodiversity Assessment Aided by Citizen Science Volunteers: A Look at the Italian Central Adriatic
Authors: Compagnone Federica , Varricchione Marco , Innangi Michele , Di Febbraro Mirko , Loy Anna , Stanisci Angela , de Francesco Maria Carla , Matteucci Giorgio , Carranza Maria Laura
Published: November 2023

Coastal ecosystems, encompassing land and marine environments and hosting substantial biodiversity, are among the most threatened worldwide. The European Habitats Directive prioritises coastal habitats and species, requiring legislative, direct protection, monitoring, and informational measures. Accurate habitat and species monitoring is crucial to conservation efforts, yet biodiversity research in complex, ever-changing environments like coastal areas is difficult. Citizen Science may bridge biodiversity assessment and eco-friendly monitoring by incorporating non-scientists into the data collection for scientists and stakeholders. A Citizen Science approach supported by a dedicated iNaturalist project (called Wild Coast CASCADE) was implemented to obtain a complete monitoring framework that includes observations of many taxa in terrestrial, aquatic, and transitional dynamic coastal environments in the Central Italian Adriatic coast. We explored data gathered focusing on the IUCN Red List species, the species and habitats of European conservation concern, and the non-native species. Between 2020 and 2023, we collected 3784 records covering 742 species, with 81% meeting the “research grade criteria”, and these were retained for subsequent research. Citizen Science volunteers have collected 291 georeferenced animal records from the global IUCN Red List, 51 plant species from 14 species that are indicators of the presence of habitats of European Conservation Concern, and 44 non-native plants and animals. Our results provide evidence that citizen research projects can effectively assist in monitoring coastal–marine habitats and species. They also underline the potential of Citizen Science for biodiversity conservation and emphasize the importance of public engagement in conservation efforts.
On the Emergence of Autonomous Chemical Systems through Dissipation Kinetics
Authors: Pross Addy , Pascal Robert
Published: November 2023

This work addresses the kinetic requirements for compensating the entropic cost of self-organization and natural selection, thereby revealing a fundamental principle in biology. Metabolic and evolutionary features of life cannot therefore be separated from an origin of life perspective. Growth, self-organization, evolution and dissipation processes need to be metabolically coupled and fueled by low-entropy energy harvested from the environment. The evolutionary process requires a reproduction cycle involving out-of-equilibrium intermediates and kinetic barriers that prevent the reproductive cycle from proceeding in reverse. Model analysis leads to the unexpectedly simple relationship that the system should be fed energy with a potential exceeding a value related to the ratio of the generation time to the transition state lifetime, thereby enabling a process mimicking natural selection to take place. Reproducing life’s main features, in particular its Darwinian behavior, therefore requires satisfying constraints that relate to time and energy. Irreversible reaction cycles made only of unstable entities reproduce some of these essential features, thereby offering a physical/chemical basis for the possible emergence of autonomy. Such Emerging Autonomous Systems (EASs) are found to be capable of maintaining and reproducing their kind through the transmission of a stable kinetic state, thereby offering a physical/chemical basis for what could be deemed an epigenetic process.
Effectiveness of Deep Cervical Fascial Manipulation® and Sequential Yoga Poses on Pain and Function in Individuals with Mechanical Neck Pain: A Randomised Controlled Trial
Authors: Raja G Prabu , Bhat Shyamasunder , Gangavelli Ranganath , Prabhu Anupama , Stecco Antonio , Pirri Carmelo , Jaganathan Vennila , Fernández-de-Las-Peñas César
Published: November 2023

Background: This study aimed to investigate the effect of fascial manipulation (FM) of the deep cervical fascia (DCF) and sequential yoga poses (SYP) on pain and function in individuals with mechanical neck pain (MNP). Method: Following the predefined criteria, ninety-nine individuals with MNP were recruited, randomised, and assigned to either the intervention group (IG) (n = 51) or the control group (CG) (n = 48). Individuals in the IG received FM (4 sessions in 4 weeks) and the home-based SYP (4 weeks). The CG participants received their usual care (cervical mobilisation and thoracic manipulation (4 sessions in 4 weeks) along with unsupervised therapeutic exercises (4 weeks). The participants underwent baseline and weekly follow-up measurements of pain using a numerical pain rating scale (NPRS) and elbow extension range of motion (EEROM) during the upper limb neurodynamic test 1 (ULNT1). The baseline and the fourth session follow-up measurements of the patient-specific functional scale (PSFS) and fear-avoidance behavior Questionnaire (FABQ) were also taken. Results: A repeated-measures ANOVA was performed. There were statistically significant differences between the IG and CG on the NPRS third and fourth sessions, with mean differences (MD) of −1.009 (p < 0.05) and −1.701 (p < 0.001), respectively. Regarding EEROM, there was a 20.120° difference (p < 0.001) in the fourth session between the groups. The MD in FABQ was −5.036 (p < 0.001), but there were no significant differences in PSFS between the groups during the follow-up. Conclusion: FM and SYP can aid in reducing pain and fear-avoidance behaviour and improve the function and extensibility of the upper quarter region.
AC Electromagnetic Field Controls the Biofilms on the Glass Surface by Escherichia coli & Staphylococcus epidermidis Inhibition Effect
Authors: Aoyama Natsu , Kanematsu Hideyuki , Barry Dana M. , Miura Hidekazu , Ogawa Akiko , Kogo Takeshi , Kawai Risa , Hagio Takeshi , Hirai Nobumitsu , Kato Takehito , Yoshitake Michiko , Ichino Ryoichi
Published: November 2023

Biofilms, mainly comprised of bacteria, form on materials’ surfaces due to bacterial activity. They are generally composed of water, extracellular polymeric substances (polysaccharides, proteins, nucleic acids, and lipids), and bacteria. Some bacteria that form biofilms cause periodontal disease, corrosion of the metal materials that make up drains, and slippage. Inside of a biofilm is an environment conducive to the growth and propagation of bacteria. Problems with biofilms include the inability of disinfectants and antibiotics to act on them. Therefore, we have investigated the potential application of alternating electromagnetic fields for biofilm control. We obtained exciting results using various materials’ specimens and frequency conditions. Through these studies, we gradually understood that the combination of the type of bacteria, the kind of material, and the application of an electromagnetic field with various low frequencies (4 kHz–12 kHz) changes the circumstances of the onset of the biofilm suppression effect. In this study, relatively high frequencies (20 and 30 kHz) were applied to biofilms caused by Escherichia coli (E. coli) and Staphylococcus epidermidis (S. epidermidis), and quantitative evaluation was performed using staining methods. The sample surfaces were analyzed by Raman spectroscopy using a Laser Raman spectrometer to confirm the presence of biofilms on the surface.
Grouting Mechanism of Polyurethane Composite Materials in Asphalt Pavement Subsidence
Authors: Ran Maoping , Zhou Xinxing , Yan Yuan , Jiang Ruiqie , Zhou Xinglin
Published: November 2023

The mechanical properties of polyurethane grouting materials were significantly improved when cement, sodium meta-silicate, red mud, slag, and fly ash were added. However, the grouting mechanisms of polyurethane composite materials are not clear. The grouting mechanisms of polyurethane composite materials in asphalt pavement subsidence were investigated. The results of computed tomography analysis show that polyurethane foam is filled with geopolymer hydration products. The results from ground penetrating radar after grouting show that mapping has no significant fluctuation or dislocation effect, which indicates that the grouting effect is strong. The high-density electrometer can also test the pavement subsidence place and distribution. The grouting mechanisms indicate that polyurethane foam acts as the consolidation structure, and the geopolymer filled with the foam pores of polyurethane and geopolymer forms a stable consolidated body. The seriflux includes under-layer seriflux (red mud, slag, water, and polyurethane composite materials) and upper-layer seriflux (polyurethane seriflux), and there exists a weak phase separation phenomenon, in which the separation phase is mainly polyurethane with little red mud-based geopolymer.
Experimental and Numerical Study on the Perforation Behavior of an Aluminum 6061-T6 Cylindrical Shell
Authors: Byun Seon-Woo , Joo Young-Jung , Lee Soo-Yong , Kim Sang-Woo
Published: November 2023

The modified Johnson–Cook (MJC) material model is widely used in simulation under high-velocity impact. There was a need to estimate a strain rate parameter for the application to the impact analysis, where the method typically used is the Split Hopkinson bar. However, this method had a limit to the experiment of strain rate. This study proposed to estimate the strain rate parameter of the MJC model based on the impact energy and obtained a parameter. The proposed method of strain rate parameter calculation uses strain parameters to estimate from the drop weight impact and high-velocity impact experiments. Then, the ballistic experiment and analysis were carried out with the target of the plate and cylindrical shape. These analysis results were then compared with those obtained from the experiment. The penetration velocities of plates could be predicted with an error of a maximum of approximately 3.7%. The penetration shape of the cylindrical target has a similar result shape according to impact velocity and had an error of approximately 6%.
Successful Treatment of a Patient with Drug-Refractory Rheumatoid Arthritis-Associated Interstitial Lung Disease with Upadacitinib: A Case Report
Authors: Nishii Yuuya , Okamoto Masaki , Zaizen Yoshiaki , Kojima Takashi , Nouno Takashi , Naitou-Nishida Yoshiko , Matsuo Norikazu , Takeoka Hiroaki , Ishida Motoko , Nakamura Masataka , Masuda Toru , Tanaka Takafumi , Miyamura Tomoya , Hoshino Tomoaki
Published: November 2023

Insufficient evidence exists regarding the efficacy of Janus kinase inhibitors (JAKis), a class of targeted synthetic disease-modifying anti-rheumatic drugs (tsDMARDs), in the treatment of rheumatoid arthritis (RA)-associated interstitial lung disease (ILD). Herein, we present a case of RA-ILD refractory to previous treatments that exhibited favorable response to upadacitinib. A 69-year-old man, former smoker, was diagnosed with RA-ILD based on persistent symmetric polyarthritis, elevated C-reactive protein levels and erythrocyte sedimentation rate, reduced diffusing capacity for carbon monoxide/alveolar volume (DLCO 69.9%), and bilateral ground-glass attenuation with traction bronchiectasis, predominantly in the lower lung lobe. Initial treatment with oral prednisolone and methotrexate was started; however, the patient showed worsening dyspnea, chest high-resolution computed tomography abnormalities, and decreased pulmonary function. The dose of prednisolone was increased, and methotrexate was shifted to tacrolimus; however, tacrolimus was eventually discontinued because of renal dysfunction. Subsequent treatment changes included abatacept followed by intravenous cyclophosphamide, but ILD activity continued to worsen and met the criteria of progressive pulmonary fibrosis. Approximately 4.5 years after the RA diagnosis, dyspnea, radiological abnormalities, and DLCO improved following treatment switch to upadacitinib, one of JAKis. JAKi therapy may have potential as a treatment option for refractory RA-ILD.
Experimenting with Dimethyl Sulfoxide to Leach Gold from a Colombian Artisanal Gold Ore
Authors: Torkaman Pariya , Yoshimura Akihiro , Lavkulich Leslie M. , Veiga Marcello M.
Published: November 2023

The diverse uses of gold and its crucial role in the global economy are growing, particularly during cycles of economic crises. The broad use of cyanide by conventional gold-mining companies and mercury by artisanal miners poses environmental and health concerns for local communities. This article introduces an innovative gold-leaching process using a non-toxic organic reagent, dimethyl sulfoxide (DMSO), a water-free lixiviant that extracts gold from ores/concentrates in combination with copper halides. The results of laboratory experiments using dimethyl sulfoxide and a sample of high-grade gold ore from Colombia show that 96.5% of the gold was extracted in 2 h at room temperature. The typical cyanidation process using 5 g/L of CN− at pH 10.5 on the same ore sample obtained 97% gold extraction in 24 h at ambient temperature. The gold extracted using DMSO was precipitated by adding a mild acidic solution, and the reagent can be recycled via distillation and reused in repeating cycles. The results show that DMSO can be used as a promising agent for gold leaching, offering a straightforward, cost-effective, and eco-friendly procedure with minimal chemical waste.
Potential of Cheese-Associated Lactic Acid Bacteria to Metabolize Citrate and Produce Organic Acids and Acetoin
Authors: Silva Luana Faria , Sunakozawa Tássila Nakata , Monteiro Diego Alves , Casella Tiago , Conti Ana Carolina , Todorov Svetoslav Dimitrov , Barretto Penna Ana Lúcia
Published: November 2023

Lactic acid bacteria (LAB) are pivotal in shaping the technological, sensory, and safety aspects of dairy products. The evaluation of proteolytic activity, citrate utilization, milk pH reduction, and the production of organic compounds, acetoin, and diacetyl by cheese associated LAB strains was carried out, followed by Principal Component Analysis (PCA). Citrate utilization was observed in all Leuconostoc (Le.) mesenteroides, Le. citreum, Lactococcus (Lc.) lactis, Lc. garvieae, and Limosilactobacillus (Lm.) fermentum strains, and in some Lacticaseibacillus (Lact.) casei strains. Most strains exhibited proteolytic activity, reduced pH, and generated organic compounds. Multivariate PCA revealed Le. mesenteroides as a prolific producer of acetic, lactic, formic, and pyruvic acids and acetoin at 30 °C. Enterococcus sp. was distinguished from Lact. casei based on acetic, formic, and pyruvic acid production, while Lact. casei primarily produced lactic acid at 37 °C. At 42 °C, Lactobacillus (L.) helveticus and some L. delbrueckii subsp. bulgaricus strains excelled in acetoin production, whereas L. delbrueckii subsp. bulgaricus and Streptococcus (S.) thermophilus strains primarily produced lactic acid. Lm. fermentum stood out with its production of acetic, formic, and pyruvic acids. Overall, cheese-associated LAB strains exhibited diverse metabolic capabilities which contribute to desirable aroma, flavor, and safety of dairy products.
Natural Products–Pyrazine Hybrids: A Review of Developments in Medicinal Chemistry
Authors: Chen Guo-Qing , Guo Hong-Yan , Quan Zhe-Shan , Shen Qing-Kun , Li Xiaoting , Luan Tian
Published: November 2023

Pyrazine is a six-membered heterocyclic ring containing nitrogen, and many of its derivatives are biologically active compounds. References have been downloaded through Web of Science, PubMed, Science Direct, and SciFinder Scholar. The structure, biological activity, and mechanism of natural product derivatives containing pyrazine fragments reported from 2000 to September 2023 were reviewed. Publications reporting only the chemistry of pyrazine derivatives are beyond the scope of this review and have not been included. The results of research work show that pyrazine-modified natural product derivatives have a wide range of biological activities, including anti-inflammatory, anticancer, antibacterial, antiparasitic, and antioxidant activities. Many of these derivatives exhibit stronger pharmacodynamic activity and less toxicity than their parent compounds. This review has a certain reference value for the development of heterocyclic compounds, especially pyrazine natural product derivatives.
Exploring the Impact of Intermolecular Interactions on the Glassy Phase Formation of Twist-Bend Liquid Crystal Dimers: Insights from Dielectric Studies
Authors: Kocot Antoni , Czarnecka Małgorzata , Arakawa Yuki , Merkel Katarzyna
Published: November 2023

The formation of the nematic to twist-bend nematic (NTB) phase has emerged as a fascinating phenomenon in the field of supramolecular chemistry, based on complex intermolecular interactions. Through a careful analysis of molecular structures and dynamics, we elucidate how these intermolecular interactions drive the complex twist-bend modulation observed in the NTB. The study employs broadband dielectric spectroscopy spanning frequencies from 10 to 2 × 109 Hz to investigate the molecular orientational dynamics within the glass-forming thioether-linked cyanobiphenyl liquid crystal dimers, namely, CBSC7SCB and CBSC7OCB. The experimental findings align with theoretical expectations, revealing the presence of two distinct relaxation processes contributing to the dielectric permittivity of these dimers. The low-frequency relaxation mode is attributed to an “end-over-end rotation” of the dipolar groups parallel to the director. The high-frequency relaxation mode is associated with precessional motions of the dipolar groups about the director. Various models are employed to describe the temperature-dependent behavior of the relaxation times for both modes. Particularly, the critical-like description via the dynamic scaling model seems to give not only quite good numerical fittings, but also provides a consistent physical picture of the orientational dynamics in accordance with findings from infrared (IR) spectroscopy. Here, as the longitudinal correlations of dipoles intensify, the m1 mode experiences a sudden upsurge in enthalpy, while the m2 mode undergoes continuous changes, displaying critical mode coupling behavior. Interestingly, both types of molecular motion exhibit a strong cooperative interplay within the lower temperature range of the NTB phase, evolving in tandem as the material’s temperature approaches the glass transition point. Consequently, both molecular motions converge to determine the glassy dynamics, characterized by a shared glass transition temperature, Tg.
Synthesis of Tetracyclic Spirooxindolepyrrolidine-Engrafted Hydantoin Scaffolds: Crystallographic Analysis, Molecular Docking Studies and Evaluation of Their Antimicrobial, Anti-Inflammatory and Analgesic Activities
Authors: Toumi Amani , Abdella Faiza I.A. , Boudriga Sarra , Alanazi Tahani Y. A. , Alshamari Asma K. , Alrashdi Ahlam Abdulrahman , Dbeibia Amal , Hamden Khaled , Daoud Ismail , Knorr Michael , Kirchhoff Jan-Lukas , Strohmann Carsten
Published: November 2023

In a sustained search for novel potential drug candidates with multispectrum therapeutic application, a series of novel spirooxindoles was designed and synthesized via regioselective three-component reaction between isatin derivatives, 2-phenylglycine and diverse arylidene-imidazolidine-2,4-diones (Hydantoins). The suggested stereochemistry was ascertained by an X-ray diffraction study and NMR spectroscopy. The resulting tetracyclic heterocycles were screened for their in vitro and in vivo anti-inflammatory and analgesic activity and for their in vitro antimicrobial potency. In vitro antibacterial screening revealed that several derivatives exhibited remarkable growth inhibition against different targeted microorganisms. All tested compounds showed excellent activity against the Micrococccus luteus strain (93.75 µg/mL ≤ MIC ≤ 375 µg/mL) as compared to the reference drug tetracycline (MIC = 500 µg/mL). Compound 4e bearing a p-chlorophenyl group on the pyrrolidine ring exhibited the greatest antifungal potential toward Candida albicans and Candida krusei (MIC values of 23.43 µg/mL and 46.87 µg/mL, respectively) as compared to Amphotericin B (MIC = 31.25 and 62.50 µg/mL, respectively). The target compounds were also tested in vitro against the lipoxygenase-5 (LOX-5) enzyme. Compounds 4i and 4l showed significant inhibitory activity with IC50 = 1.09 mg/mL and IC50 = 1.01 mg/mL, respectively, more potent than the parent drug, diclofenac sodium (IC50 = 1.19 mg/mL). In addition, in vivo evaluation of anti-inflammatory and analgesic activity of these spirooxindoles were assessed through carrageenan-induced paw edema and acetic acid-induced writhing assays, respectively, revealing promising results. In silico molecular docking and predictive ADMET studies for the more active spirocompounds were also carried out.
Effects of the Supercritical Fluid Extract of Magnolia figo on Inducing the Apoptosis of Human Non-Small-Cell Lung Cancer Cells
Authors: Kuo Chun-Sheng , Chen Shih-Yun , Tsai Jen-Chieh
Published: November 2023

Lung cancer has a high incidence rate worldwide, necessitating the development of new drugs. Although Magnolia figo (Lour.) DC. is known for its medicinal properties, studies on its efficacy against lung cancer are lacking. This study investigated whether the supercritical fluid extract of M. figo (FMO) can induce apoptosis in A549, a human non-small-cell lung cancer cell line. The cell viability was assessed using an MTT assay. A terminal deoxynucleotidyl transferase dUTP nick end labeling (TUNEL) analysis and flow cytometry analysis were conducted. The expression of factors was assessed through Western blotting analyses. Gas chromatography–mass spectrometry (GC-MS) was performed. The results revealed that FMO treatment exhibited cytotoxicity, demonstrating dose-dependent effects. The TUNEL analysis and flow cytometry analysis revealed that FMO induced apoptosis in A549 cells. The Western blotting analysis revealed that FMO upregulated the expression of p53 and Bax protein, and downregulated the expression of Bcl-2 protein. The GC-MS analysis revealed eight components identified in FMO. These findings indicate that FMO can induce A549 apoptosis through the p53/Bcl-2/Bax pathways, confirming the apoptotic effects of M. figo on lung cancer cells. These results highlight the potential, for the first time, of M. figo as a source for developing novel drugs for lung cancer treatment.
Structural Analysis and Antioxidant and Immunoregulatory Activities of an Exopolysaccharide Isolated from Bifidobacterium longum subsp. longum XZ01
Authors: Zhang Xingyuan , Gong Jing , Huang Wenyi , Liu Wen , Ma Chong , Liang Rongyao , Chen Ye , Xie Zhiyong , Li Pei , Liao Qiongfeng
Published: November 2023

Bifidobacterium longum subsp. longum XZ01 (BLSL1) is a new strain (isolated from the intestines of healthy people and deposited with the preservation number GDMCC 61618). An exopolysaccharide, S-EPS-1, was successfully isolated from the strain and then systematically investigated for the first time. Some structural features of S-EPS-1 were analyzed by chemical component, HPLC, ultraviolet, infrared, and nuclear magnetic resonance spectrum analyses. These analyses revealed that S-EPS-1 is a neutral heteropolysaccharide with an α-configuration. It contains mainly mannose and glucose, as well as small amounts of rhamnose and galactose. The molecular weight of S-EPS-1 was calculated to be 638 kDa. Several immunoregulatory activity assays indicated that S-EPS-1 could increase proliferation, phagocytosis, and NO production in vitro. In addition, S-EPS-1 could upregulate the expression of cytokines at the mRNA level through TLR4-mediated activation of the NF-κB signaling pathway in RAW 264.7 cells. Finally, S-EPS-1 was demonstrated to exhibit antioxidant activity by ABTS+• scavenging, DPPH• scavenging, and ferric-ion reducing power assays. Furthermore, S-EPS-1 can protect cells from oxidative stress and shows no cytotoxicity. These beneficial effects can be partly attributed to its antioxidant ability. Thus, the antioxidant S-EPS-1 may be applied as a functional food in the future.
Antimicrobial Activity of Manganese(I) Tricarbonyl Complexes Bearing 1,2,3-Triazole Ligands
Authors: Friães Sofia , Trigueiros Cândida , Gomes Clara S. B. , Fernandes Alexandra R. , Lenis-Rojas Oscar A. , Martins Marta , Royo Beatriz
Published: November 2023

Background. Antimicrobial resistance is one of the most pressing health issues of our time. The increase in the number of antibiotic-resistant bacteria allied to the lack of new antibiotics has contributed to the current crisis. It has been predicted that if this situation is not dealt with, we will be facing 10 million deaths due to multidrug resistant infections per year by 2050, surpassing cancer-related deaths. This alarming scenario has refocused attention into researching alternative drugs to treat multidrug-resistant infections. Aims. In this study, the antimicrobial activities of four manganese complexes containing 1,2,3,-triazole and clotrimazole ligands have been evaluated. It is known that azole antibiotics coordinated to manganese tricarbonyl complexes display interesting antimicrobial activities against several microbes. In this work, the effect of the introduction of 1,2,3,-triazole-derived ligands in the [Mn(CO)3(clotrimazole)] fragment has been investigated against one Gram-positive bacterium and five Gram-negative bacteria. Methods. The initial antimicrobial activity of the above-mentioned complexes was assessed by determining the minimum inhibitory and bactericidal concentrations using the broth microdilution method. Growth curves in the presence and absence of the complexes were performed to determine the effects of these complexes on the growth of the selected bacteria. A possible impact on cellular viability was determined by conducting the MTS assay on human monocytes. Results. Three of the Mn complexes investigated (4–6) had good antimicrobial activities against all the bacteria tested, with values ranging from 1.79 to 61.95 µM with minimal toxicity. Conclusions. Due to the increased problem of antibiotic resistance and a lack of new antibacterial drugs with no toxicity, these results are exciting and show that these types of complexes can be an avenue to pursue in the future.
New Thiazolyl-Pyrazoline Derivatives as Potential Dual EGFR/HER2 Inhibitors: Design, Synthesis, Anticancer Activity Evaluation and In Silico Study
Authors: Fakhry Mariam M. , Mattar Amr A. , Alsulaimany Marwa , Al-Olayan Ebtesam M. , Al-Rashood Sara T. , Abdel-Aziz Hatem A.
Published: November 2023

A new series of thiazolyl-pyrazoline derivatives (4a–d, 5a–d 6a, b, 7a–d, 8a, b, and 10a, b) have been designed and synthesized through the combination of thiazole and pyrazoline moieties, starting from the key building blocks pyrazoline carbothioamides (1a–b). These eighteen derivatives have been designed as anticipated EGFR/HER2 dual inhibitors. The efficacy of the developed compounds in inhibiting cell proliferation was assessed using the breast cancer MCF-7 cell line. Among the new synthesized thiazolyl-pyrazolines, compounds 6a, 6b, 10a, and 10b displayed potent anticancer activity toward MCF-7 with IC50 = 4.08, 5.64, 3.37, and 3.54 µM, respectively, when compared with lapatinib (IC50 = 5.88 µM). In addition, enzymatic assays were also run for the most cytotoxic compounds (6a and 6b) toward EGFR and HER2 to demonstrate their dual inhibitory activity. They revealed promising inhibition potency against EGFR with IC50 = 0.024, and 0.005 µM, respectively, whereas their IC50 = 0.047 and 0.022 µM toward HER2, respectively, compared with lapatinib (IC50 = 0.007 and 0.018 µM). Both compounds 6a and 10a induced apoptosis by arresting the cell cycle of the MCF-7 cell line at the G1 and G1/S phases, respectively. Molecular modeling studies for the promising candidates 6a and 10a showed that they formed the essential binding with the crucial amino acids for EGFR and HER2 inhibition, supporting the in vitro assay results. Furthermore, ADMET study predictions were carried out for the compounds in the study.
Height with Age Affects Body Mass Index (BMI) Assessment of Chronic Disease Risk
Authors: Holt Peter R. , Altayar Osama , Alpers David H.
Published: November 2023

Body mass index (BMI) is a function of weight and height, but changing height has not been emphasized. Using the Framingham Heart Study with 5 decades of data on anthropomorphic measurements and disease states, changing height with age was extracted, and BMI was calculated using current and “young” height (calculated as height at age < 40 years). Decreased height began at age 40, with a mean loss from ages 40 to 80 of 4.8 cm for women and 3.6 cm for men. Using cutoff values of 25 and 30 for overweight and obesity, ~12.5% of women and ~10% of men were misclassified. Comparable figures for obesity classification were ~10 and 8%. At age 70, ~20% of women and ~15% of men were misclassified. Using the BMI corrected to “young” height, obese subjects had an increased risk for developing pre-diabetes and diabetes, with a higher risk for women than men. Using corrected BMI, obese subjects had a higher risk for developing hypertension, lower than for diabetes and higher for men than for women. These data do not establish whether the increased disease risk is clinically important but demonstrate that there is an advantage to using BMI corrected for “young” height when compared with BMI using current age-related height.
See Me, Hear Me, Know Me: Perspectives on Diet and Physical Activity Influences among Teens Living in Rural Texas Communities
Authors: Thompson Debbe , Miranda Julie , Callender Chishinga , Dave Jayna M. , Appiah Godlove , Musaad Salma M. A.
Published: November 2023

Teens in rural communities are at greater risk of obesity than teens in urban areas. Diet and physical activity influence obesity risk. Understanding their perspectives is an important step in intervention design. This qualitative investigation explored teen perspectives on how living in a rural community influenced their diet and physical activity choices. Forty parent–teen pairs were recruited. Data collection included surveys and telephone interviews. This paper reports teen perspectives identified in the first interview. Thematic analysis was used to code and analyze the data. Findings revealed that the primary factor driving teens’ diet and physical activity behaviors was the teens themselves. They clearly understood their role in the choices they made, although they acknowledged not always making the healthiest choice. This belief was driven by their motivation to engage in healthy behaviors, which was influenced by the perceived benefits derived from making healthy choices and from the synergistic relationship between diet and physical activity. Diet and physical activity, in turn, were influenced by the environment, particularly the home, social, and community environments. Family and friends were particularly influential, as well as resource availability. These findings can serve as a foundation for designing interventions tailored to this population.
Effects of a High-Fat Diet and Docosahexaenoic Acid during Pregnancy on Fatty Acid Composition in the Fetal Livers of Mice
Authors: Álvarez Daniela , Ortiz Macarena , Valdebenito Gabriel , Crisosto Nicolás , Echiburú Bárbara , Valenzuela Rodrigo , Espinosa Alejandra , Maliqueo Manuel
Published: November 2023

A high-fat diet (HFD) during pregnancy promotes fat accumulation and reduces docosahexaenoic acid (DHA) levels in the liver of the offspring at postnatal ages, which can depend on fetal sex. However, the prenatal mechanisms behind these associations are still unclear. Thus, we analyzed if an HFD alters DHA content and the expression of molecules related to fatty acid (FA) metabolism in the fetal liver. Female C57BL/6 mice were fed a control diet or HFD for 4–6 weeks before pregnancy until the gestational day (GD) 17.5. A subgroup of each diet received DHA (100 mg/Kg) orally from GD 6.5 until 16.5. On GD 17.5, maternal livers, placentas, and livers from male and female fetuses were collected for FA profiling with gas-chromatography and gene expression of molecules related to FA metabolism using qPCR. PPAR-α protein expression was evaluated using Western blot. The gene expression of placental FA transporters was also assessed. An HFD increased eicosapentaenoic acid (EPA) and decreased DHA levels and protein expression of PPAR-α in the fetal livers of both sexes. DHA increased the gene expression of Ppara, Cpt1, and Acsl1 in the livers of female fetuses. Therefore, an HFD reduces DHA levels and PPAR-α, a master regulator of gene expression, in the fetal liver. In turn, the livers of female fetuses seem to be more sensitive to DHA action.