bluuebunny/crossref_metadata_2025 huggingface dataset:
A Novel Device for Assessment and Treatment of Upper Cervical Spine: Test–Retest Reliability Study
Authors: Carrasco-Uribarren Andoni , Marimon Xavier , Portela Alejandro , Cabanillas-Barea Sara , Rodríguez-Rubio Pere Ramón , Pérez Román A.
Published: March 2023

Introduction: Neck pain is one of the most frequent reasons for consultation in primary care. Clinicians evaluate different variables, including movement and cervical strength, to determine the prognosis of patients. Usually, the tools employed for this purpose are expensive and bulky, or more than one is needed. This study aims to describe a novel device designed to assess the cervical spine and describe its test–retest reliability. Methods: The Spinetrack device was designed to measure the strength of deep cervical flexor muscles and the chin-in and chin-out movement of the upper cervical spine. A test–retest reliability study was developed. The flexion, extension and strength needed to move the Spinetrack device were registered. Two measurements were developed, with one week between each assessment. Results: Twenty healthy subjects were evaluated. The strength of the deep cervical flexor muscles in the first measurement was 21.18 ± 3.15 Newtons, the displacement movement during chin-in movement was 12.79 mm ± 3.46 and the displacement during chin-out movement was 35.99 mm ± 4.44. The test–retest reliability of strength was ICC 0.97 (95% CI (0.91–0.99)). Conclusion: The Spinetrack device has shown excellent test–retest reliability values for the measurement of the strength of the cervical flexor muscles and for the chin-in and chin-out movements.
Uncemented Tibial Fixation Has Comparable Prognostic Outcomes and Safety Versus Cemented Fixation in Cruciate-Retaining Total Knee Arthroplasty: A Meta-Analysis of Randomized Controlled Trials
Authors: Chen Kai , Xu Jintao , Dai Hanhao , Yu Yaohui , Wang Yishu , Zhu Yi , Tao Tianqi , Jiang Yiqiu
Published: March 2023

Background: Cemented and uncemented fixation are the primary methods of tibial prosthesis fixation in total knee arthroplasty. However, the optimal fixation method remains controversial. This article explored whether uncemented tibial fixation has better clinical and radiological outcomes, fewer complications, and revision rates compared to cemented tibial fixation. Methods: We searched the PubMed, Embase, Cochrane Library, and Web of Science databases up to September 2022 to identify randomized controlled trials (RCTs) that compared uncemented total knee arthroplasty (TKA) and cemented TKA. The outcome assessment consisted of clinical and radiological outcomes, complications (aseptic loosening, infection, and thrombosis), and revision rate. Subgroup analysis was used to explore the effects of different fixation methods on knee scores in younger patients. Results: Nine RCTs were finally analyzed with 686 uncemented knees and 678 cemented knees. The mean follow-up time was 12.6 years. The pooled data revealed significant advantages of uncemented fixations over cemented fixations in terms of the Knee Society Knee Score (KSKS) (p = 0.01) and the Knee Society Score–Pain (KSS–Pain) (p = 0.02). Cemented fixations showed significant advantages in maximum total point motion (MTPM) (p < 0.0001). There was no significant difference between uncemented fixation and cemented fixation regarding functional outcomes, range of motion, complications, and revision rates. When comparing among young people (<65 years), the differences in KSKS became statistically insignificant. No significant difference was shown in aseptic loosening and the revision rate among young patients. Conclusions: The current evidence shows better knee score, less pain, comparable complications and revision rates for uncemented tibial prosthesis fixation, compared to cemented, in cruciate-retaining total knee arthroplasty.
Contribution of Risk and Resilience Factors to Suicidality among Mental Health-Help-Seeking Adolescent Outpatients: A Cross-Sectional Study
Authors: Shilton Tal , Hertz-Palmor Nimrod , Matalon Noam , Shani Shachar , Dekel Idit , Gothelf Doron , Barzilay Ran
Published: March 2023

Background: Peer victimization is an established risk factor for youth suicidal thoughts and behavior (suicidality), yet most peer-victimized youth are not suicidal. More data are needed pertaining to factors that confer resilience to youth suicidality. Aim: To identify resilience factors for youth suicidality in a sample of N = 104 (Mean age 13.5 years, 56% female) outpatient mental health help-seeking adolescents. Methods: Participants completed self-report questionnaires on their first outpatient visit, including the Ask Suicide-Screening Questions, a battery of risk (peer victimization and negative life events) and resilience (self-reliance, emotion regulation, close relationships and neighborhood) measures. Results: 36.5% of participants screened positive for suicidality. Peer victimization was positively associated with suicidality (odds ratio [OR] = 3.84, 95% confidence interval [95% CI] 1.95–8.62, p < 0.001), while an overall multi-dimensional measure of resilience factors was inversely associated with suicidality (OR, 95% CI = 0.28, 0.11–0.59, p = 0.002). Nevertheless, high peer victimization was found to be associated with a greater chance of suicidality across all levels of resilience (marked by non-significant peer victimization by resilience interaction, p = 0.112). Conclusions: This study provides evidence for the protective association of resilience factors and suicidality in a psychiatric outpatient population. The findings may suggest that interventions that enhance resilience factors may mitigate suicidality risk.
Adherence to Oral Antidiabetic Drugs in Patients with Type 2 Diabetes: Systematic Review and Meta-Analysis
Authors: Piragine Eugenia , Petri Davide , Martelli Alma , Calderone Vincenzo , Lucenteforte Ersilia
Published: March 2023

Poor adherence to oral antidiabetic drugs (OADs) in patients with type 2 diabetes (T2D) can lead to therapy failure and risk of complications. The aim of this study was to produce an adherence proportion to OADs and estimate the association between good adherence and good glycemic control in patients with T2D. We searched in MEDLINE, Scopus, and CENTRAL databases to find observational studies on therapeutic adherence in OAD users. We calculated the proportion of adherent patients to the total number of participants for each study and pooled study-specific adherence proportions using random effect models with Freeman–Tukey transformation. We also calculated the odds ratio (OR) of having good glycemic control and good adherence and pooled study-specific OR with the generic inverse variance method. A total of 156 studies (10,041,928 patients) were included in the systematic review and meta-analysis. The pooled proportion of adherent patients was 54% (95% confidence interval, CI: 51–58%). We observed a significant association between good glycemic control and good adherence (OR: 1.33; 95% CI: 1.17–1.51). This study demonstrated that adherence to OADs in patients with T2D is sub-optimal. Improving therapeutic adherence through health-promoting programs and prescription of personalized therapies could be an effective strategy to reduce the risk of complications.
Hemophagocytic Lymphohistiocytosis Associated with Immunological Checkpoint Inhibitors: A Pharmacovigilance Study
Authors: Diaz Laurine , Jauzelon Benjamin , Dillies Anne-Charlotte , Le Souder Cosette , Faillie Jean-Luc , Maria Alexandre , Palassin Pascale
Published: March 2023

Background: Acquired hemophagocytic lymphohistiocytosis (HLH) is a rare but potentially fatal condition characterized by hyperactivation of macrophages and cytotoxic lymphocytes, combining a series of non-specific clinical symptoms and laboratory disorders. Etiologies are multiple: infectious (mainly viral) but also oncologic, autoimmune or drug-induced. Immune checkpoint inhibitors (ICI) are recent anti-tumor agents associated with a novel profile of adverse events triggered by immune system over-activation. Here, we sought to provide a comprehensive description and analysis of HLH cases reported with ICI since 2014. Methods: Disproportionality analyses were performed in order to further explore the association between ICI therapy and HLH. We selected 190 cases, 177 from the World Health Organization pharmacovigilance database and 13 from the literature. Detailed clinical characteristics were retrieved from the literature and from the French pharmacovigilance database. Results: The cases of HLH reported with ICI concerned men in 65% of cases with a median age of 64 years. HLH occurred in an average of 102 days after the initiation of ICI treatment and mostly concerned nivolumab, pembrolizumab and nivolumab/ipilimumab combination. All cases were considered serious. Most cases presented a favorable outcome (58.4%); however, death was reported for 15.3% of patients. Disproportionality analyses showed that HLH was seven times more frequently reported with ICI therapy than with other drugs and three times more than with other antineoplastic agents. Conclusions: Clinicians should be aware of the potential risk of ICI-related HLH to improve the early diagnosis of this rare immune-related adverse event.
Nanoformulation of a Trypanocidal Drug Isometamidium Chloride Ameliorates the Apurinic-Apyrimidinic DNA Sites/Genotoxic Effects in Horse Blood Cells
Authors: Singh Sandeep , Kumar Balvinder , Dilbaghi Neeraj , Devi Nisha , Prasad Minakshi , Manuja Anju
Published: March 2023

Isometamidium chloride (ISM) is a trypanocide for the prophylactic and therapeutic use against vector-borne animal trypanosomosis (mainly Surra caused by Trypanosoma evansi) and African animal trypanosomosis caused by T. congolense/T. vivax/T. brucei). ISM was found to be an efficient trypanocide for therapeutic/prophylactic use against trypanosomosis; however, it produces some local and systemic detrimental effects in animals. We synthesized isometamidium chloride-loaded alginate gum acacia nanoformulation (ISM SANPS) to lessen the detrimental side effects of isometamidium chloride (ISM) while treating trypanosomal diseases. We intended to determine the cytocompatibility/toxicity, and DNA deterioration/chromosomal structural or number changes (genotoxicity) of ISM SANPs using mammalian cells in a concentration-dependent manner. Apurinic/apyrimidinic (AP) sites are one of the major types of DNA lesions formed during base excision and repair of oxidized, deaminated, or alkylated bases. The intensity of the cellular AP site is an excellent marker of the deterioration of DNA quality. We thought it pertinent to quantify the AP sites in ISM SANPs-treated cells. Our investigations established a dose-dependent cyto-compatibility or toxicity and DNA impairment (genotoxicity) in ISM SANPs-treated horse peripheral blood mononuclear cells. ISM SANPs were biocompatible at various concentrations tested on the mammalian cells.
Application of GPR Prospection to Unveil Historical Stratification inside Monumental Buildings: The Case of San Leonardo de Siete Fuentes in Santu Lussurgiu, Sardinia, Italy
Authors: Piroddi Luca , Rassu Massimo
Published: March 2023

Stratigraphy is a fundamental classification tool for archaeology on which modern excavation techniques are based, and essentially consists of a sedimentological, pedological and archaeological interpretation of the multiple cultural layers found while digging; this concept can be adopted when studying monumental buildings and, in particular, their hidden parts or elements. The precious and delicate surfaces of monuments need non-invasive techniques such as geophysical methods and in the present article, the use of GPR technique has been exploited through a dataset collected over the nave of the church of San Leonardo de Siete Fuentes in Sardinia. First, the georadar results have been jointly analyzed by means of the B- and C-scans, in which some most significant patterns were detected and analyzed by looking at their signal features over the investigated volume. Following the analysis, elements from the signal attribute analysis and horizon detection and visualization, with a 3D approach, were used. To strengthen the reliability of the GPR results, a thermal infrared survey was simultaneously carried out. Thanks to the integrated geophysical and historical analysis of the monument, the ancient layout of the church has been reconstructed and other targets of potential archaeological interest identified
Impacts of Ongoing Land-Use Change on Watershed Hydrology and Crop Production Using an Improved SWAT Model
Authors: Li Baogui , Marek Gary W. , Marek Thomas H. , Porter Dana O. , Ale Srinivasulu , Moorhead Jerry E. , Brauer David K. , Srinivasan Raghavan , Chen Yong
Published: March 2023

The southern Ogallala Aquifer continues to deplete due to decades of irrigation with minimal recharge. Recently enacted regulations limiting groundwater withdrawals and the potential for farm profitability with cotton production systems indicate driving forces for increased cotton production acreage in the Northern High Plains of Texas (NHPT). This study focused on evaluating the land-use change from corn or winter wheat to cotton under irrigation and dryland conditions in the Palo Duro watershed (PDW) in the NHPT using an improved Soil and Water Assessment Tool (SWAT) model. Land-use change from irrigated corn to irrigated cotton led to reductions in average (2000–2014) annual irrigation, actual evapotranspiration (ETa), and surface runoff by 21%, 7%, and 63%, respectively. Nevertheless, the replacement of irrigated wheat with irrigated cotton caused irrigation and ETa to increase by 46% and 18%, respectively. Land-use conversion from dryland wheat to dryland cotton showed 0.1% and 15% decreases in ETa and surface runoff, respectively. More than 40% reductions in simulated cotton yields were found when the cotton planting area was moving northward to the cooler NHPT. The ongoing change in land use provided an option to lengthen the water availability of the southern Ogallala Aquifer for irrigation.
Effect of Locally Adapted Conservation Tillage on Runoff, Soil Erosion, and Agronomic Performance in Semiarid Rain-Fed Farming in Ethiopia
Authors: Kebede Laike , Temesgen Melesse , Fanta Abebe , Kebede Asfaw , Rockström Johan , Melesse Assefa M.
Published: March 2023

An on-farm field experiment on a locally adapted conservation tillage method was undertaken to evaluate its effect on soil erosion, surface runoff, and agronomic parameters. It was conducted on five farmer fields with 3–14% slopes in the Rift Valley and the Eastern escarpment of Ethiopia’s central highlands region for two cropping seasons. The treatments were conventional tillage (CT), repeated ploughing performed with a traditional ox-drawn plough named ‘Maresha’, and minimized contour ploughing (MT) at most twice with a locally adapted sweep-like attachment assembled to Maresha. Surface runoff and soil loss in the MT system were 30 to 60% and 49 to 76% lower than those in the CT system on 3 to 14% slopes, respectively. Despite the wide variation in surface runoff, limited differences in soil water content for the depth from 0 to 20 cm were observed between the treatments. Significant differences (p < 0.05) in grain yields (kg ha−1) of 246 and 323 in the 1st and 2nd growing seasons, respectively, were recorded between the MT and CT treatments. The results of this study demonstrated that the MT system can significantly reduce surface runoff and soil loss while improving crop yields in rainfed smallholder farming systems of Ethiopia.
Current Status of Hard Turning in Manufacturing: Aspects of Cooling Strategy and Sustainability
Authors: Mallick Rajashree , Kumar Ramanuj , Panda Amlana , Sahoo Ashok Kumar
Published: March 2023

In recent years, hard turning has been found to be a well-known substitute for traditional grinding for acquiring the finish quality of hardened steel without sacrificing productivity. There are many issues that should be carefully understood and dealt with to attain efficacious performance in hard turning. This article discusses modern manufacturing challenges with a focus on analyzing the current state of the art of the hard turning process in terms of ensuring more environmentally friendly manufacturing through the use of greener cooling methods such as dry, wet/flood cooling, the minimum quantity of lubricant (MQL), high-pressure jet cooling, solid lubricant, nanofluids, ionic liquids (ILs), cryogenic cooling, and hybrid cooling. Nanofluids combined with the MQL system were found to be the superior cooling technique in comparison to dry, wet/flood, and MQL. Cryo-machining also provided superior performance by limiting the cutting temperature during hard turning. The performance of hybrid cooling (MQL + cryogenic) seems to have been superior to MQL and cryogenic coolant alone because it combined the benefits of lubrication and cooling from MQL and cryogenic systems, respectively. The addition of ILs to base fluids or nanofluids improves the thermal properties of the mixed fluid, resulting in better surface quality, lower tool wear, and longer tool life. Furthermore, the purpose of this study is to summarize the various LCA software used for analyzing the sustainability of the hard turning process. Overall, this paper can serve as a resource for researchers and manufacturers working in the field of sustainable machining.
Eutectic In Situ Modification of Polyamide 12 Processed through Laser-Based Powder Bed Fusion
Authors: Schlicht Samuel , Drummer Dietmar
Published: March 2023

Laser-based powder bed fusion (LPBF) of polymers allows for the additive manufacturing of dense components with high mechanical properties. Due to inherent limitations of present material systems suitable for LPBF of polymers and required high processing temperatures, the present paper investigates the in situ modification of material systems using powder blending of p-aminobenzoic acid and aliphatic polyamide 12, followed by subsequent laser-based additive manufacturing. Prepared powder blends exhibit a considerable reduction of required processing temperatures dependent on the fraction of p-aminobenzoic acid, allowing for the processing of polyamide 12 at a build chamber temperature of 141.5 °C. An elevated fraction of 20 wt% of p-aminobenzoic acid allows for obtaining a considerably increased elongation at break of 24.65% ± 2.87 while exhibiting a reduced ultimate tensile strength. Thermal investigations demonstrate the influence of the thermal material history on thermal properties, associated with the suppression of low-melting crystalline fractions, yielding amorphous material properties of the previously semi-crystalline polymer. Based on complementary infrared spectroscopic analysis, the increased presence of secondary amides can be observed, indicating the influence of both covalently bound aromatic groups and hydrogen-bound supramolecular structures on emerging material properties. The presented approach represents a novel methodology for the energy-efficient in situ preparation of eutectic polyamides, potentially allowing for the manufacturing of tailored material systems with adapted thermal, chemical, and mechanical properties.
Application of 3D Scanning Method to Assess Mounting Holes’ Shape Instability of Pinewood
Authors: Sydor Maciej , Majka Jerzy , Rychlik Michał , Turbański Wojciech
Published: March 2023

Swelling and shrinkage anisotropy affect the susceptibility to an assembly of wooden elements by changing designed clearances or interference fits. This work described the new method to measure mounting holes’ moisture-induced shape instability and its verification using three sets of twin samples made of Scots pinewood. Each set of samples contained a pair with different grain patterns. All samples were conditioned under reference conditions (relative air humidity–RH = 60% and temperature 20 °C), and their moisture content (MC) reached equilibrium (10.7 ± 0.1%). On the side of each sample, the seven mounting holes of 12 mm in diameter were drilled. Immediately after drilling, Set 1 was used to measure the effective hole diameter with 15 cylindrical plug-gauges with diameters of 0.05 mm step, while Set 2 and Set 3 were separately re-seasoned by six months in two extreme conditions. Set 2 was conditioned with air at 85% RH (reached an equilibrium MC of 16.6 ± 0.5%), while Set 3 was exposed to air at 35% RH (reached an equilibrium MC of 7.6 ± 0.1%). Results of the plug gauge tests highlighted that holes in the samples subjected to swelling (Set 2) increased an effective diameter in the range of 12.2–12.3 mm (1.7–2.5%), while samples subjected to shrinking (Set 3) reduced the effective diameter to 11.9–11.95 mm (0.8–0.4%). To accurately reproduce the complex shape of the deformation, gypsum casts of holes were made. The 3D optical scanning method was used to read the gypsum casts’ shape and dimensions. The 3D surface map of deviations analysis provided more detailed information than the plug-gauge test results. Both the shrinking and swelling of the samples changed the shapes and sizes of the holes, but shrinking reduced the effective diameter of the hole more than swelling increased it. The moisture-induced changes in the shape of holes are complex: the holes ovalized with a different range, depending on the wood grain pattern and hole depth, and were slightly extended in diameter at the bottom. Our study provides a new way to measure 3D hole initial shape changes in wooden elements during desorption and absorption.
The Light Reflection Changes of Monolithic Zirconia and Lithium Disilicate after Using Two External Staining Kits following by Thermocycling
Authors: Dolve Eran , Ben-Izhack Gil , Meirowitz Avi , Erel Hadar , Rosner Ofir , Biadsee Ameer , Lugassy Diva , Shely Asaf
Published: March 2023

Background: The purpose of the study was to evaluate the changes of light reflection% on two materials (monolithic zirconia and lithium disilicate) after using two external staining kits following by thermocycling. Methods: Specimens were sectioned from monolithic zirconia (n = 60) and lithium disilicate (n = 60) then divided into six groups (n = 20). Two different types of external staining kits were used and applied to the specimens. The light reflection% was measured before staining, after staining and after thermocycling using a spectrophotometer. Results: The light reflection% of zirconia was significantly higher compared to lithium disilicate at the beginning of the study (p = 0.005), after staining with kit 1 (p = 0.005) and kit 2 (p = 0.005) and after thermocycling (p = 0.005). For both materials, the light reflection% was lower after staining with Kit 1 compared to kit 2 (p < 0.043). After thermocycling, the light reflection% of lithium disilicate increased (p = 0.027) and was unchanged with Zirconia (p = 0.527). Conclusions: There is a difference between the materials regarding light reflection% as the monolithic zirconia showed higher light reflection% comparing lithium disilicate throughout the entire experiment. For lithium disilicate, we recommend using kit 1 as we found that, after thermocycling, the light reflection% of kit 2 was increased.
In-Vitro Investigation of Marginal Adaptation and Fracture Resistance of Resin Matrix Ceramic Endo-Crown Restorations
Authors: Mertsöz Burak , Ongun Salim , Ulusoy Mutahhar
Published: March 2023

The aim of this study was to evaluate the fracture resistance and marginal adaptation of endo-crown restorations produced from different resin-matrix ceramics (RMS) and the effects of these materials on marginal adaptation and fracture resistance. Three frasaco models were used by preparing (first) premolar teeth in three different margin preparations: butt-joint, heavy chamfer and shoulder. Each group was further divided into four subgroups according to the type of restorative material used: Ambarino High Class (AHC), Voco Grandio (VG), Brilliant Crios (BC) and Shofu (S) (n = 30). Master models were obtained using an extraoral scanner and fabricated with a milling machine. Marginal gap evaluation was performed with a silicon replica technique using a stereomicroscope. Replicas of the models (n = 120) were produced with epoxy resin. The fracture resistance of the restorations was recorded using a universal testing machine. The data were statistically analyzed using two-way ANOVA, and a t-test was applied for each group. Tukey’s post-hoc test was performed to compare significant differences (p ≤ 0.05). The highest marginal gap was observed in VG, and the best marginal adaptation and the highest fracture resistance were found in BC. The lowest fracture resistance in Butt-joint preparation design was found in S. In addition, the lowest fracture resistance value in the heavy chamfer preparation design was found in AHC. The heavy shoulder preparation design displayed the highest fracture resistance values for all materials.
Influence of Wobble-Based Scanning Strategy on Surface Morphology of Laser Powder Bed-Fabricated Permalloy
Authors: Huang Ta-Yu , Cheng Chung-Wei , Lee An-Chen , Chang Tsung-Wei , Tsai Mi-Ching
Published: March 2023

Surface roughness quality is still a significant problem in the laser powder bed fusion (LPBF) process. This study proposes a wobble-based scanning strategy to improve the insufficiencies of the traditional scanning strategy with regard to surface roughness. A laboratory LPBF system with a self-developed controller was used to fabricate Permalloy (Fe-79Ni-4Mo) with two scanning methods: traditional line scanning (LS) and the proposed wobble-based scanning (WBS). This study investigates the influences of these two scanning strategies on porosity and surface roughness. The results imply that WBS can maintain higher surface accuracy than LS, and the surface roughness can be reduced by about 45%. Furthermore, WBS can produce periodic surface structures arranged in fish scales or parallelograms with appropriate parameters.
Role of Boron in Assisting the Super-Enhancement of Emissions from Carbon-Implanted Silicon
Authors: Abdul Razak Nurul Ellena , Dee Chang Fu , Madhuku Morgan , Ahmad Ishaq , Chang Edward Yi , Yu Hung Wei , Majlis Burhanuddin Yeop , Berhanuddin Dilla Duryha
Published: March 2023

The super enhancement of silicon band edge luminescence when co-implanted with boron and carbon is reported. The role of boron in the band edge emissions in silicon was investigated by deliberately introducing defects into the lattice structures. We aimed to increase the light emission intensity from silicon by boron implantation, leading to the formation of dislocation loops between the lattice structures. The silicon samples were doped with a high concentration of carbon before boron implantation and then annealed at a high temperature to activate the dopants into substitutional lattice sites. Photoluminescence (PL) measurements were performed to observe the emissions at the near-infrared region. The temperatures were varied from 10 K to 100 K to study the effect of temperature on the peak luminescence intensity. Two main peaks could be seen at ~1112 and 1170 nm by observing the PL spectra. The intensities shown by both peaks in the samples incorporated with boron are significantly higher than those in pristine silicon samples, and the highest intensity in the former was 600 times greater than that in the latter. Transmission electron microscopy (TEM) was used to study the structure of post-implant and post-anneal silicon sample. The dislocation loops were observed in the sample. Through a technique compatible with mature silicon processing technology, the results of this study will greatly contribute to the development of all Si-based photonic systems and quantum technologies.
Recent Advances in Chitosan-Based Applications—A Review
Authors: Thambiliyagodage Charitha , Jayanetti Madara , Mendis Amavin , Ekanayake Geethma , Liyanaarachchi Heshan , Vigneswaran Saravanamuthu
Published: March 2023

Chitosan derived from chitin has gathered much interest as a biopolymer due to its known and possible broad applications. Chitin is a nitrogen-enriched polymer abundantly present in the exoskeletons of arthropods, cell walls of fungi, green algae, and microorganisms, radulae and beaks of molluscs and cephalopods, etc. Chitosan is a promising candidate for a wide variety of applications due to its macromolecular structure and its unique biological and physiological properties, including solubility, biocompatibility, biodegradability, and reactivity. Chitosan and its derivatives have been known to be applicable in medicine, pharmaceuticals, food, cosmetics, agriculture, the textile and paper industries, the energy industry, and industrial sustainability. More specifically, their use in drug delivery, dentistry, ophthalmology, wound dressing, cell encapsulation, bioimaging, tissue engineering, food packaging, gelling and coating, food additives and preservatives, active biopolymeric nanofilms, nutraceuticals, skin and hair care, preventing abiotic stress in flora, increasing water availability in plants, controlled release fertilizers, dye-sensitised solar cells, wastewater and sludge treatment, and metal extraction. The merits and demerits associated with the use of chitosan derivatives in the above applications are elucidated, and finally, the key challenges and future perspectives are discussed in detail.
Epigenetic Modifications Induced by the Gut Microbiota May Result from What We Eat: Should We Talk about Precision Diet in Health and Disease?
Authors: Reva Katerina , Laranjinha João , Rocha Bárbara S.
Published: March 2023

Diet is currently considered one of the most important adjustable determinants of human health. The gut microbiota, the collection of microorganisms that inhabit (mainly) the distal bowel, has recently been shown to ensure critical physiological functions, such as immune, metabolic and neuropsychiatric. Many of these biological effects result from the production of bacterial metabolites that may target host cells, tissues and organs. In line with this rationale, epigenetics has brought new insights to our understanding of how environmental factors influence gene expression and, interestingly, gut microbiota metabolites have recently been proposed as novel and significant inducers of epigenetic modifications. Efforts have been dedicated to unveil how the production of specific metabolites influences the activity of epigenetic writers and erasers in order to establish a mechanistic link between gut microbiota, epigenetic modifications and health. Recent data is now evidencing how specific microbial metabolites shape the epigenetic landscape of eukaryotic cells, paving new avenues for innovative therapeutic strategies relying on diet-driven microbiota: epigenetic interactions. Herein is discussed the impact of diet on gut microbiota and the molecular mechanisms underlying microbiota–host interactions, highlighting the influence of diet on microbiota metabolome and how this may induce epigenetic modifications in host cells. Furthermore, it is hypothesized that epigenetics may be a key process transducing the effects of diet on gut microbiota with consequences for health and disease. Accordingly, innovating strategies of disease prevention based on a “precision diet”, a personalized dietary planning according to specific epigenetic targets, are discussed.
Targeted Desorption Electrospray Ionization Mass Spectrometry Imaging for Drug Distribution, Toxicity, and Tissue Classification Studies
Authors: Dannhorn Andreas , Doria Maria Luisa , McKenzie James , Inglese Paolo , Swales John G. , Hamm Gregory , Strittmatter Nicole , Maglennon Gareth , Ghaem-Maghami Sadaf , Goodwin Richard J. A. , Takats Zoltan
Published: March 2023

With increased use of mass spectrometry imaging (MSI) in support of pharmaceutical research and development, there are opportunities to develop analytical pipelines that incorporate exploratory high-performance analysis with higher capacity and faster targeted MSI. Therefore, to enable faster MSI data acquisition we present analyte-targeted desorption electrospray ionization–mass spectrometry imaging (DESI-MSI) utilizing a triple-quadrupole (TQ) mass analyzer. The evaluated platform configuration provided superior sensitivity compared to a conventional time-of-flight (TOF) mass analyzer and thus holds the potential to generate data applicable to pharmaceutical research and development. The platform was successfully operated with sampling rates up to 10 scans/s, comparing positively to the 1 scan/s commonly used on comparable DESI-TOF setups. The higher scan rate enabled investigation of the desorption/ionization processes of endogenous lipid species such as phosphatidylcholines and a co-administered cassette of four orally dosed drugs—erlotininb, moxifloxacin, olanzapine, and terfenadine. This was used to enable understanding of the impact of the desorption/ionization processes in order to optimize the operational parameters, resulting in improved compound coverage for olanzapine and the main olanzapine metabolite, hydroxy-olanzapine, in brain tissue sections compared to DESI-TOF analysis or matrix-assisted laser desorption/ionization (MALDI) platforms. The approach allowed reducing the amount of recorded information, thus reducing the size of datasets from up to 150 GB per experiment down to several hundred MB. The improved performance was demonstrated in case studies investigating the suitability of this approach for mapping drug distribution, spatially resolved profiling of drug-induced nephrotoxicity, and molecular–histological tissue classification of ovarian tumors specimens.
Recyclable Magnetic Iron Immobilized onto Chitosan with Bridging Cu Ion for the Enhanced Adsorption of Methyl Orange
Authors: Teng Daoguang , Jin Peng , Guo Wenhuan , Liu Jiang , Wang Wei , Li Peng , Cao Yijun , Zhang Ling , Zhang Ying
Published: March 2023

Chitosan (CS) is a natural and low-cost adsorbent for capturing metal ions and organic compounds. However, the high solubility of CS in acidic solution would make it difficult to recycle the adsorbent from the liquid phase. In this study, the CS/Fe3O4 was prepared via Fe3O4 nanoparticles immobilized onto a CS surface, and the DCS/Fe3O4-Cu was further fabricated after surface modification and the adsorption of Cu ions. The meticulously tailored material displayed the sub-micron size of an agglomerated structure with numerous magnetic Fe3O4 nanoparticles. During the adsorption of methyl orange (MO), the DCS/Fe3O4-Cu delivered a superior removal efficiency of 96.4% at 40 min, which is more than twice the removal efficiency of 38.7% for pristine CS/Fe3O4. At an initial MO concentration of 100 mg L−1, the DCS/Fe3O4-Cu exhibited the maximum adsorption capacity of 144.60 mg g−1. The experimental data were well explained by the pseudo-second-order model and Langmuir isotherm, suggesting the dominant monolayer adsorption. The composite adsorbent still maintained a large removal rate of 93.5% after five regeneration cycles. This work develops an effective strategy to simultaneously achieve high adsorption performance and convenient recyclability for wastewater treatment.
Controllable Preparation of Gold Nanocrystals with Different Porous Structures for SERS Sensing
Authors: Qin Yazhou , Fang Dewang , Wu Yulun , Wu Yuanzhao , Yao Weixuan
Published: March 2023

Porous Au nanocrystals (Au NCs) have been widely used in catalysis, sensing, and biomedicine due to their excellent localized surface plasma resonance effect and a large number of active sites exposed by three-dimensional internal channels. Here, we developed a ligand-induced one-step method for the controllable preparation of mesoporous, microporous, and hierarchical porous Au NCs with internal 3D connecting channels. At 25 °C, using glutathione (GTH) as both a ligand and reducing agent combined with the Au precursor to form GTH–Au(I), and under the action of the reducing agent ascorbic acid, the Au precursor is reduced in situ to form a dandelion-like microporous structure assembled by Au rods. When cetyltrimethylammonium bromide (C16TAB) and GTH are used as ligands, mesoporous Au NCs formed. When increasing the reaction temperature to 80 °C, hierarchical porous Au NCs with both microporous and mesoporous structures will be synthesized. We systematically explored the effect of reaction parameters on porous Au NCs and proposed possible reaction mechanisms. Furthermore, we compared the SERS-enhancing effect of Au NCs with three different pore structures. With hierarchical porous Au NCs as the SERS base, the detection limit for rhodamine 6G (R6G) reached 10−10 M.
Non-Invasive Disease Specific Biomarker Detection Using Infrared Spectroscopy: A Review
Authors: Maiti Kiran Sankar
Published: March 2023

Many life-threatening diseases remain obscure in their early disease stages. Symptoms appear only at the advanced stage when the survival rate is poor. A non-invasive diagnostic tool may be able to identify disease even at the asymptotic stage and save lives. Volatile metabolites-based diagnostics hold a lot of promise to fulfil this demand. Many experimental techniques are being developed to establish a reliable non-invasive diagnostic tool; however, none of them are yet able to fulfil clinicians’ demands. Infrared spectroscopy-based gaseous biofluid analysis demonstrated promising results to fulfil clinicians’ expectations. The recent development of the standard operating procedure (SOP), sample measurement, and data analysis techniques for infrared spectroscopy are summarized in this review article. It has also outlined the applicability of infrared spectroscopy to identify the specific biomarkers for diseases such as diabetes, acute gastritis caused by bacterial infection, cerebral palsy, and prostate cancer.
Exploring the Chemical Constituents, Antioxidant, Xanthine Oxidase and COX Inhibitory Activity of Commiphora gileadensis Commonly Grown Wild in Saudi Arabia
Authors: Shadid Khalid A. , Shakya Ashok K. , Naik Rajashri R. , Al-Qaisi Talal S. , Oriquat Ghaleb A. , Atoom Ali M. , Farah Husni S.
Published: March 2023

The use of the synthetic drugs has increased in the last few decades; however, these drugs exhibit various side effects. Scientists are therefore seeking alternatives from natural sources. Commiphora gileadensis has long been used to treat various disorders. It is commonly known as bisham or balm of Makkah. This plant contains various phytochemicals, including polyphenols and flavonoids, with biological potential. We found that steam-distilled essential oil of C. gileadensis exhibited higher antioxidant activity (IC50, 22.2 µg/mL) than ascorbic acid (IC50, 1.25 µg/mL). The major constituents (>2%) in the essential oil were β-myrcene, nonane, verticiol, β-phellandrene, β-cadinene, terpinen-4-ol, β-eudesmol, α-pinene, cis-β-copaene and verticillol, which might be responsible for the antioxidant and antimicrobial activity against Gram-positive bacteria. The extract of C. gileadensis exhibited inhibitory activity against cyclooxygenase (IC50, 450.1 µg/mL), xanthine oxidase (251.2 µg/mL) and protein denaturation (110.5 µg/mL) compared to standard treatments, making it a viable treatment from a natural plant source. LC-MS analysis revealed the presence of phenolic compounds such as caffeic acid phenyl ester, hesperetin, hesperidin, chrysin and transient amounts of catechin, gallic acid, rutin and caffeic acid. The chemical constituents of this plant can be explored further to investigate its wide variety of therapeutic potential.
An Effective Synthesis of Previously Unknown 7-Aryl Substituted Paullones
Authors: Aksenov Dmitrii A. , Akulova Alesia S. , Aleksandrova Elena A. , Aksenov Nicolai A. , Leontiev Alexander V. , Aksenov Alexander V.
Published: March 2023

A straightforward three-step procedure affording a wide range of novel 7-aryl substituted paullone derivatives was developed. This scaffold is structurally similar to 2-(1H-indol-3-yl)acetamides—promising antitumor agents—hence, could be useful for the development of a new class of anticancer drugs.
Computational Procedure for Analysis of Crystallites in Polycrystalline Solids of Quasilinear Molecules
Authors: Iliev Stoyan , Tsibranska Sonya , Kichev Ilia , Tcholakova Slavka , Denkov Nikolai , Ivanova Anela
Published: March 2023

In the current work, a comprehensive procedure for structural analysis of quasilinear organic molecules arranged in a polycrystalline sample generated by molecular dynamics is developed. A linear alkane, hexadecane, is used as a test case because of its interesting behavior upon cooling. Instead of a direct transition from isotropic liquid to the solid crystalline phase, this compound forms first a short-lived intermediate state known as a “rotator phase”. The rotator phase and the crystalline one are distinguished by a set of structural parameters. We propose a robust methodology to evaluate the type of ordered phase obtained after a liquid-to-solid phase transition in a polycrystalline assembly. The analysis starts with the identification and separation of the individual crystallites. Then, the eigenplane of each of them is fit and the tilt angle of the molecules relative to it is computed. The average area per molecule and the distance to the nearest neighbors are estimated by a 2D Voronoi tessellation. The orientation of the molecules with respect to each other is quantified by visualization of the second molecular principal axis. The suggested procedure may be applied to different quasilinear organic compounds in the solid state and to various data compiled in a trajectory.
Amine-Functionalized Natural Rubber/Mesostructured Silica Nanocomposites for Adsorptive Removal of Clofibric Acid in Aqueous Phase
Authors: Yousatit Satit , Rungruangwattanachot Witsarut , Yuwawanitchakorn Natthakit , Nuntang Sakdinun , Punyapalakul Patiparn , Ngamcharussrivichai Chawalit
Published: March 2023

This study is the first report on the synthesis, characterization and application of amine-functionalized mesoporous nanocomposites based on natural rubber (NR) and wormhole-like mesostructured silica (WMS). In comparison with amine-functionalized WMS (WMS-NH2), a series of NR/WMS-NH2 composites were synthesized via an in situ sol-gel method in which the organo-amine group was grafted onto the nanocomposite surface via co-condensation with 3-aminopropyltrimethoxysilane (APS) as the amine-functional group precursor. The NR/WMS-NH2 materials had a high specific surface area (115–492 m2 g−1) and total pore volume (0.14–1.34 cm3 g−1) with uniform wormhole-like mesoporous frameworks. The amine concentration of NR/WMS-NH2 (0.43–1.84 mmol g−1) was increased with an increase in the APS concentration, corresponding to high levels of functionalization with the amine groups of 53–84%. The H2O adsorption–desorption measurement revealed that NR/WMS-NH2 possessed higher hydrophobicity than WMS-NH2. The removal of clofibric acid (CFA), a xenobiotic metabolite of the lipid-lowering drug clofibrate, from the aqueous solution using WMS-NH2 and NR/WMS-NH2 materials was investigated using a batch adsorption experiment. The adsorption was a chemical process in which the pseudo-second order kinetic model expressed the sorption kinetic data better than the pseudo first-order and Ritchie-second kinetic order model. In addition, the CFA adsorption sorption equilibrium data of the NR/WMS-NH2 materials were fitted to the Langmuir isotherm model. The NR/WMS-NH2 with 5% amine loading had the highest CFA adsorption capacity (6.29 mg g−1).
Triterpene Derivatives as Potential Inhibitors of the RBD Spike Protein from SARS-CoV-2: An In Silico Approach
Authors: Avelar Mayra , Pedraza-González Laura , Sinicropi Adalgisa , Flores-Morales Virginia
Published: March 2023

The appearance of a new coronavirus, SARS-CoV-2, in 2019 kicked off an international public health emergency. Although rapid progress in vaccination has reduced the number of deaths, the development of alternative treatments to overcome the disease is still necessary. It is known that the infection begins with the interaction of the spike glycoprotein (at the virus surface) and the angiotensin-converting enzyme 2 cell receptor (ACE2). Therefore, a straightforward solution for promoting virus inhibition seems to be the search for molecules capable of abolishing such attachment. In this work, we tested 18 triterpene derivatives as potential inhibitors of SARS-CoV-2 against the receptor-binding domain (RBD) of the spike protein by means of molecular docking and molecular dynamics simulations, modeling the RBD S1 subunit from the X-ray structure of the RBD-ACE2 complex (PDB ID: 6M0J). Molecular docking revealed that at least three triterpene derivatives of each type (i.e., oleanolic, moronic and ursolic) present similar interaction energies as the reference molecule, i.e., glycyrrhizic acid. Molecular dynamics suggest that two compounds from oleanolic and ursolic acid, OA5 and UA2, can induce conformational changes capable of disrupting the RBD-ACE2 interaction. Finally, physicochemical and pharmacokinetic properties simulations revealed favorable biological activity as antivirals.
Reprotoxic Effect of Tris(2,3-Dibromopropyl) Isocyanurate (TBC) on Spermatogenic Cells In Vitro
Authors: Tabęcka-Łonczyńska Anna , Skóra Bartosz , Kaleniuk Edyta , Szychowski Konrad A.
Published: March 2023

Tris(2,3-dibromopropyl) isocyanurate (TBC) belongs to the class of novel brominated flame retardants (NFBRs) that are widely used in industry. It has commonly been found in the environment, and its presence has been discovered in living organisms as well. TBC is also described as an endocrine disruptor that is able to affect male reproductive processes through the estrogen receptors (ERs) engaged in the male reproductive processes. With the worsening problem of male infertility in humans, a mechanism is being sought to explain such reproductive difficulties. However, so far, little is known about the mechanism of action of TBC in male reproductive models in vitro. Therefore, the aim of the study was to evaluate the effect of TBC alone and in cotreatment with BHPI (estrogen receptor antagonist), 17β-estradiol (E2), and letrozole on the basic metabolic parameters in mouse spermatogenic cells (GC-1 spg) in vitro, as well as the effect of TBC on mRNA expression (Ki67, p53, Pparγ, Ahr, and Esr1). The presented results show the cytotoxic and apoptotic effects of high micromolar concentrations of TBC on mouse spermatogenic cells. Moreover, an increase in Pparγ mRNA levels and a decrease in Ahr and Esr1 gene expression were observed in GS-1spg cells cotreated with E2. These results suggest the significant involvement of TBC in the dysregulation of the steroid-based pathway in the male reproductive cell models in vitro and may be the cause of the currently observed deterioration of male fertility. However, more research is needed to reveal the full mechanism of TBC engagement in this phenomenon.