"On-the-fly" Crystal : How to reliably and automatically characterize and construct potential energy surfaces.

In this work, the Crystal  code, developed previously by the authors to find "holes" as well as legitimate transition states in existing potential energy surface (PES) functions [JPC Lett. 11, 6468 (2020)], is retooled to perform on-the-fly "direct dynamics"-type PES explorations, as well as automatic construction of new PES functions. In all of these contexts, the chief advantage of Crystal  over other methods is its ability to globally map the PES, thereby determining the most relevant regions of configuration space quickly and reliably-even when the dimensionality is rather large. Here, Crystal  is used to generate a uniformly spaced grid of density functional theory (DFT) or ab initio points, truncated over the relevant regions, which can then be used to either: (a) hone in precisely on PES features such as minima and transition states, or; (b) create a new PES function automatically, via interpolation. Proof of concept is demonstrated via application to three molecular systems: water (H 2 O), (reduced-dimensional) methane (CH 4 ), and methylene imine (CH 2 NH).

Complications of ultrasound guided very small-bore chest drains for pleural effusions of different etiology.

Background: Small-bore chest drains are now the most common drains for treating pleural effusion (PE), but knowledge on complications is limited especially in malignant PE and empyema. We aimed to evaluate rate of complications of ultrasound guided small bore chest drains [6-10 French (F)] by PE etiology. Methods: Retrospective cohort study of 484 chest drains inserted in 330 adults in a Swedish department 2018-2020. Rate of complications (blockage, dislocation, infection, or misplacement) and repeat intervention (new drain within 2 weeks or surgery) was analyzed by effusion type (organ failure, parapneumonic, malignant, empyema, other, unknown), age, sex, seniority of radiologist, and bore size using multivariable logistic regression. Results: Most inserted drains (73.3%) were 6 F. The rate of repeat intervention was substantially higher in malignant PE [25.5%; adjusted odds ratio (aOR) 3.3; 95% confidence interval (CI): 1.6-6.8] and empyema (56.4%; aOR 11.9; 95% CI: 4.8-29.4) compared to other aetiologies (range, 9.5-17.8%). Surgery as complication occurred in empyema in 23.0% of cases (aOR 10.6; 95% CI: 1.4-79.4). The rate of repeat intervention in simple PE (parapneumonic or due to organ failure) was low (range, 9.5-12.5%). Conclusions: A single small-bore chest drain (6-10 F) was successful in the vast majority of simple PEs, but had high complication rates in empyema with frequent need of additional drains or surgery. These findings support use of larger drains and early consultation with a thoracic surgeon in empyema.

Biofouling mitigation of Nb2AlC and Mo3AlC2 MXene-precursors doped polyether sulfone mixed matrix membranes for pathogen microorganisms.

This study explores the incorporation of Nb2AlC and Mo3AlC2 MAX phases, known for their nano-layered structure, into polyether sulfone (PES) membranes to enhance their antifouling and permeability properties for pathogen microorganism filtration against bovine serum albumin (BSA) and Escherichia coli (E. coli). The composite membranes were characterized for their structural and morphological properties, and their performance in mitigating biofouling was evaluated. The structural characterizations have been performed for all the prepared MAX phases and corresponding composite membranes. The antioxidant ability of Nb2AlC and Mo3AlC2 MAX phases was defined by the DPPH radical scavenging assay, and the highest antioxidant ability was found to be 59.35 %, while 53.69 % scavenging potential was recorded for 16 at 100 mg/L. The percentage scavenging ability was raised with an increase in concentrations. The antimicrobial properties of MAX phases, evaluated as the minimum inhibitory concentration, were stated against several pathogen microorganisms. The tested compounds of Nb2AlC and Mo3AlC2 composites containing MAX phases exhibited excellent chemical nuclease activity, and it was determined that Nb2AlC caused double strand DNA cleavage activity while Mo3AlC2 induced the complete fragmentation of the DNA molecule. Biofilm inhibition of Nb2AlC and Mo3AlC2 MAX phases was studied against Staphylococcus aureus, and Pseudomonas aeruginosa and the maximum biofilm inhibition of Nb2AlC and Mo3AlC2 MAX phases was found to be 77.15 % and 69.07 % against S. aureus and also 69.74 % and 65.01 % against P. aeruginosa. Furthermore, The Nb2AlC and Mo3AlC2 MAX phases demonstrated excellent E. coli growth inhibition of 100 % at 125 and 250 mg/L.

Effects of short foot training on foot posture in patients with flatfeet: A systematic review and meta-analysis.

BACKGROUND: With lifestyle changes, the prevalence of flatfoot is increasing year by year, with a prevalence of 29%. Flatfoot will lead to an inevitable injury and reduce the quality of life. Short foot exercises can enhance the strength of the intrinsic muscles of the foot and improve the symptoms of flatfoot. However, there is controversy regarding its specific efficacy. OBJECTIVE: This meta-analysis quantitatively evaluates the effect of short foot training on patients with flatfeet and provides evidence to inform the clinical approach to short foot training in patients with flat feet. METHODS: A total of eight databases were searched, including CNKI, WANFANG, VIP, and CBM in Chinese and PubMed, Cochrane, Web of Science, and Embase in English. The timeframe for searching the literature was March 2023 for each database build. English database search terms and search formulas were: (flat foot OR talipes valgus OR talipes calcaneovalgus) AND (short foot exercises OR physical therapy OR neurophysiotherapy). RESULTS: The current pooled results show no significant difference in the improvement of the navicular drop test and foot posture index with short foot exercises compared to controls; only short foot exercises greater than 6 w showed a significant improvement in the navicular drop test, and sensitivity analysis showed a significant improvement in the foot posture index with short foot exercises. CONCLUSION: This systematic review and meta-analysis showed that short foot exercises need a larger sample size to find their effect on improving flat feet; the duration of the intervention is a factor. As most studies are currently unclear whether the participants were patients with flat feet or asymptomatic individuals with flat feet the disease syndrome in patients with flatfoot may also be a factor.

The neurorehabilitation of post-stroke dysphagia: Physiology and pathophysiology.

Swallowing is a complex process involving the precise contractions of numerous muscles of the head and neck, which act to process and shepherd ingested material from the oral cavity to its eventual destination, the stomach. Over the past five decades, information from animal and human studies has laid bare the complex network of neurones in the brainstem, cortex and cerebellum that are responsible for orchestrating each normal swallow. Amidst this complexity, problems can and often do occur that result in dysphagia, defined as impaired or disordered swallowing. Dysphagia is common, arising from multiple varied disease processes that can affect any of the neuromuscular structures involved in swallowing. Post-stroke dysphagia (PSD) remains the most prevalent and most commonly studied form of dysphagia and, as such, provides an important disease model to assess dysphagia physiology and pathophysiology. In this review, we explore the complex neuroanatomical processes that occur during normal swallowing and PSD. This includes how strokes cause dysphagia, the mechanisms through which natural neuroplastic recovery occurs, current treatments for patients with persistent dysphagia and emerging neuromodulatory treatments.

Phenotypes of esophageal pressure response to the change of positive end-expiratory pressure in patients with moderate acute respiratory distress syndrome.

Background: Esophageal pressure (Pes) has been used as a surrogate of pleural pressure (Ppl) to titrate positive end-expiratory pressure (PEEP) in acute respiratory distress syndrome (ARDS) patients. The relationship between Pes and PEEP remains undetermined. Methods: A gastric tube with a balloon catheter was inserted to monitor Pes in moderate to severe ARDS patients who underwent invasive mechanical ventilation. To assess the end-expiratory Pes response (ΔPes) to PEEP changes (ΔPEEP), the PEEP level was decreased and increased subsequently (with an average change of 3 cmH2O). The patients underwent the following two series of PEEP adjustment: (I) from PEEP-3 cmH2O to PEEPbaseline; and (II) from PEEPbaseline to PEEP+3 cmH2O. The patients were classified as "PEEP-dependent type" if they had ΔPes ≥30% ΔPEEP and were otherwise classified as "PEEP-independent type" (ΔPes <30% ΔPEEP in any series). Results: In total, 54 series of PEEP adjustments were performed in 18 ARDS patients. Of these patients, 12 were classified as PEEP-dependent type, and six were classified as PEEP-independent type. During the PEEP adjustment, end-expiratory Pes changed significantly in the PEEP-dependent patients, who had a Pes of 10.8 (7.9, 12.3), 12.5 (10.5, 14.9), and 14.5 (13.1, 18.3) cmH2O at PEEP-3 cmH2O, PEEPbaseline, and PEEP+3 cmH2O, respectively (median and quartiles; P<0.0001), while end-expiratory transpulmonary pressure (PL) was maintained at an optimal range [-0.1 (-0.7, 0.4), 0.1 (-0.6, 0.5), and 0.3 (-0.3, 0.7) cmH2O, respectively]. In the PEEP-independent patients, the Pes remained unchanged, with a Pes of 15.4 (11.4, 17.8), 15.5 (11.6, 17.8), and 15.4 (11.7, 18.30) cmH2O at each of the three PEEP levels, respectively. Meanwhile, end-expiratory PL significantly improved [from -5.5 (-8.5, -3.4) at PEEP-3 cmH2O to -2.5 (-5.0, -1.6) at PEEPbaseline to -0.5 (-1.8, 0.3) at PEEP+3 cmH2O; P<0.01]. Conclusions: Two types of Pes phenotypes were identified according to the ΔPes to ΔPEEP. The underlying mechanisms and implications for clinical practice require further exploration.

The Long-Term Esthetic and Radiographic Outcome of Implants Placed in the Anterior Maxilla after Ridge Preservation, Combining Bovine Xenograft with Collagen Matrix.

The objective of the study was to evaluate the long-term esthetic and radiographic results of implants placed in the anterior maxilla after ridge preservation, combining bovine xenograft with collagen matrix. Fifteen patients who required a single tooth extraction because of fracture, root resorption, or extended caries were included in the study. After extraction, all sites were grafted using Deproteinized Bovine Bone Mineral (DBBM) with collagen and covered by a resorbable collagen matrix (CM). Five months after socket grafting, implants were successfully installed. The implant diameter range was between 3.8 and 4.2 mm. All patients were monitored for over 7 years, both clinically and radiographically. Three independent observers evaluated the long-term esthetic outcome, employing the Pink Esthetic Score (PES) technique. Over a period exceeding seven years, a 100% survival rate was observed for all 15 implants, with minimal marginal bone loss. The mean PES was 11.40 (±1.44) at the first assessment and 11.38 (±1.63) at the second assessment. The difference was not statistically significant (p = 0.978), and the scores of PES measurements indicated excellent esthetic results even after seven years. Based on these preliminary results, it seems that placing collagen bovine bone in a fresh extraction socket, covered with a collagen matrix, can preserve the alveolar ridge and provide long-term stable esthetic results.

Parametrization of the Calcaneus and Medial Cuneiform to Aid Potential Advancements in Flatfoot Surgery.

INTRODUCTION: Flatfoot is a condition commonly seen in children; however, there is general disagreement over its incidence, characterization and correction. Painful flatfoot accompanied with musculoskeletal and soft tissue problems requires surgery to avoid arthritis in adulthood, the most common surgical approach being two osteotomies to the calcaneus and medial cuneiform bones of the foot. OBJECTIVES: This study focuses on the parametrization of these two bones to understand their bone morphology differences in a population sample among 23 normal subjects. Population differences could help in understanding whether bone shape may be an important factor in aiding surgical planning and outcomes. METHODS: A total of 45 sets of CT scans of these subjects were used to generate surface meshes of the two bones and converted to be iso-topological meshes, simplifying the application of Generalized Procrustes Analysis and Principal Component Analysis, allowing the main sources of variation between the subjects to be quantified. RESULTS: For the calcaneus, 16 Principal Components (PCs) and, for the medial cuneiform, 12 PCs were sufficient to describe 90% of the dataset variability. The quantitative and qualitative analyses confirm that for the calcaneus PC1 describes the Achilles attachment location and PC2 largely describes the anterior part of the bone. For the medial cuneiform, PC1 describes the medial part of the bone, while PC2 mainly describes the superior part. CONCLUSION: Most importantly, the PCs did not seem to describe the osteotomy sites for both bones, suggesting low population variability at the bone cutting points. Further studies are needed to evaluate how shape variability impacts surgical outcomes. Future implications could include better surgical planning and may pave the way for complex robotic surgeries to become a reality.

Anatomical studies on the PES region of Zebu cattle (Bos Taurus indicus) with special references to 3D computed tomography imaging technique.

The 3D render volume reconstruction CT (3D-RVCT) produced detailed images of the PES region, determining its relationships with the surrounding structures. Despite extensive research in veterinary studies on the PES through gross anatomy and CT, there is a lack of studies on the PES of zebu cattle. The study aimed to analyze the PES of Zebu cattle using gross cross-sectional, radiographic, CT, and morphometric methods, with the use of 3D-RVCT to provide anatomical guidance for surgeons and students. The study was performed on sixteen PES regions to provide hard and soft tissues in CT images. Three are five tarsal bones and two large fused (III and IV) metatarsal bones that were completely fused except for their distal extremities, which were divided distally by the intertrochlear notch. The cortical thickness of the metatarsal bone was equal on both sides. The bony septum divided the medullary cavity between the two fused large metatarsal bones in the proximal distal half only and disappeared in the middle part. The reconstruction showed similar sizes in the right and left limbs, confirming the pes bones. The radiographic and CT images could be used as a normal reference for the interpretation of some clinical diseases in the PES. The 3D CT reconstruction of the pes bones was described by various CT oblique dorsal and plantar views. The study focuses on diagnosing PES disorders using CT imaging, improving medical interventions, improving Zebu cattle health outcomes, and empowering students to contribute to veterinary medicine research and advancements.

Impact of static foot disorders on the conservative treatment success in chronic venous disease patients without wounds.

OBJECTIVE: Chronic venous disease (CVD) and static foot disorders (SFDs) are prevalent conditions that commonly cause lower extremity pain. These conditions share common factors such as age and weight in their etiology. This study aimed to investigate the impact of SFDs on the treatment response of patients undergoing conservative treatment for CVD without wounds. MATERIALS AND METHODS: A retrospective evaluation was conducted on 328 patients (60 males, 268 females) with CVD. Parameters including age, gender, affected side, body mass index, Visual Analog Scale (VAS), Clinical-Etiological-Anatomical-Pathophysiological (CEAP) classification, and revised Venous Clinical Severity Score (rVCSS) were considered for evaluation. Radiological measurements of calcaneal pitch angle (CPA) were analyzed as a determinant of SFDs. RESULTS: VAS and rVCSS of the patients were evaluated before and after conservative treatment of CVD without concomitant treatment of SFDs. The presence of SFDs was associated with decreased treatment success (P < .001). Among different types of SFDs, the pes cavus group exhibited the lowest change in VAS and rVCSS scores before and after conservative CVD treatment. In contrast, the normal group demonstrated the highest improvement. Patients with a normal foot medial arch consistently achieved the best treatment outcomes compared with patients with other SFDs. CONCLUSIONS: In conclusion, SFDs affect outcomes of conservative treatment of CVD in CEAP 0 to 3 patients, with the efficacy of treatment dependent upon the severity of SFDs.

The photodynamic approach to the molecular-level origin of metal-guided photochromism and ultrafast absorption spectroscopy.

Metal-guided photochromic material (photochromic complex) is one of the latest versions of photo-responsive materials due to their smart behaviour and promising real-world applications. The present work explores the molecular-level origin of metal-guided photochromism using a photodynamic approach and ultrafast absorption spectroscopy, to address all existing lacunas. Here, rhodamine B (RhB) dye containing the Schiff base zinc complex is considered a representative photochromic complex for both theoretical treatment and experimental observations. Detailed theoretical studies, including geometry optimization, frontier molecular orbital (FMO) analysis, transition state (TS) identification, and natural bond orbital (NBO) analysis, along with spectral studies, are employed to investigate the photodynamic equilibrium (enol-form keto-form). This equilibrium is regulated by the interplay of intrinsic factors (push-pull effect) and extrinsic factors (such as UV-light, the phenolic-OH group, metal ions, and solvents). The potential energy surface (PES) of the photo-conversion (enol →enol*→keto*→ meta-stable keto) is evaluated. While, the PES of the reversion (meta-stable keto →enol) is constructed based on the studies of thermo-reversion and photo-reversion. Finally, the theoretical findings related to the photodynamic equilibrium are validated by direct experimental evidence obtained through femtosecond transient absorption (fs-TA) spectroscopy.

Evolución clínica y nutricional de pacientes sometidos a cirugía bariátrica en un hospital de referencia del estado de Pernambuco / Evolução clínica e nutricional de pacientes submetidos à cirurgia bariátrica em um hospital de referência do estado de Pernambuco / Clinical and nutritional evolution of patients undergoing bariatric surgery in a reference hospital in the state of Pernambuco

La obesidad es un factor de riesgo para enfermedades crónicas no transmisibles como Diabetes Mellitus 2, Hipertensión Arterial Sistémica, entre otras. La gastroplastia se encuentra entre las alternativas terapéuticas con buena respuesta a la pérdida de peso cuando el ejercicio físico y la dieta no fueron eficientes, resultando en un mejor control clínico de las comorbilidades asociadas. Por tanto, analizar la evolución clínica y nutricional de pacientes sometidos a cirugía bariátrica, 12 meses después del procedimiento, con el fin de observar los impactos de esta terapia. Se realizó una serie de casos, que incluyeron individuos sometidos a cirugía bariátrica y que presentaban alguna comorbilidad asociada al exceso de peso. La recolección de datos se realizó en Instituto de Medicina Integral Prof. Fernando Figueira – IMIP, ubicado en la ciudad de Recife-Pernambuco, período de mayo de 2021 a octubre de 2021. Se obtuvieron datos antropométricos, clínicos y bioquímicos. Se incluyeron en el estudio cuarenta personas con una edad media de 43 ± 11,7 años, siendo la técnica quirúrgica más utilizada el Bypass Gástrico (77,5%). Se observó una reducción de la Hemoglobina Glicada de 5,8% ± 0,5 en el preoperatorio a 5,1% ± 0,2 a los 12 meses (p = <0,001), y una reducción del Colesterol Total de 199,0 mg/dL a 167,0 mg/dL (p = <0,001) antes y 12 meses después de la gastroplastia, respectivamente. Además de estas, observamos una mejora estadísticamente significativa en todas las variables antropométricas y bioquímicas analizadas, excepto la glucemia en ayunas. Estos resultados pueden explicarse por cambios en la secreción de hormonas intestinales, que ayudan a mejorar el control de la glucosa, los lípidos y la presión arterial, además de la pérdida de peso. Por tanto, la cirugía bariátrica parece tener un impacto positivo en la evolución bioquímica y antropométrica en el primer año tras la cirugía.(AU)

Introdução: A obesidade é fator de risco para doençascrônicas não transmissíveis como Diabetes Mellitus tipo 2,Hipertensão Arterial Sistêmica, dislipidemias, entre outras. Agastroplastia está entre as alternativas terapêuticas com boaresposta sobre a perda ponderal quando exercício físico edieta não foram eficientes, resultando em melhor controle clí-nico de comorbidades associadas. Portanto, analisar a evolu-ção clínica e nutricional de pacientes submetidos à cirurgiabariátrica em um hospital de referência no estado dePernambuco, 12 meses após o procedimento, a fim de obser-var os impactos desta terapêutica. Material e métodos: Foi realizado uma série de casos,que incluiu indivíduos submetidos à cirurgia bariátrica e quepossuíam alguma comorbidade associada ao excesso ponde-ral. A coleta de dados foi realizada no ambulatório de nutri-ção do Instituto de Medicina Integral Prof. Fernando Figueira– IMIP, localizado na cidade de Recife-Pernambuco, períodode maio de 2021 a outubro de 2021. Sendo obtidos dados an-tropométricos, clínicos e bioquímicos. Resultados: Foram incluídos no estudo 40 indivíduos comidade média de 43 ± 11,7 anos, com predominância do sexo feminino (92,5%), sendo a técnica cirúrgica mais realizada oBypass Gástrico (77,5%). Foi observado redução daHemoglobina Glicada de 5,8% ± 0,5 no pré-operatório para5,1% ± 0,2 aos 12 meses (p = <0,001), e redução doColesterol Total de 199,0mg/dL para 167,0mg/dL (p = <0,001)antes e 12 meses após a gastroplastia, respectivamente. Alémdestas, observamos melhora estatisticamente significativa emtodas as variáveis antropométricas e bioquímicas analisadas,exceto a glicemia em jejum. Discussão: Tais resultados podem ser explicados a partirdas alterações da secreção de hormônios intestinais, que au-xiliam no melhor controle glicídico, lipídico e pressórico, alémda perda ponderal...AU)

Introduction: Obesity is a risk factor for chronic non-com-municable diseases such as Type 2 Diabetes Mellitus, SystemicArterial Hypertension, dyslipidemia, among others. Gastroplast is among the therapeutic alternatives with a good response toweight loss when physical exercise and diet were not efficient,resulting in better clinical control of associated comorbidities. Therefore, analyze the clinical and nutritional evolution of pa-tients undergoing bariatric surgery in a reference hospital in thestate of Pernambuco, 12 months after the procedure, in orderto observe the impacts of this therapy. Material and methods: A series of cases was carried out,which included individuals who underwent bariatric surgeryand who had some comorbidity associated with excessweight. Data collection was carried out at the nutrition out-patient clinic of the Instituto de Medicina Integral Prof.Fernando Figueira – IMIP, located in the city of Recife-Pernambuco, period from May 2021 to October 2021.Anthropometric, clinical and biochemical data were obtained. Results: 40 individuals were included in the study with amean age of 43 ± 11.7 years, with a predominance of fema-les (92.5%), with the most common surgical technique beingGastric Bypass (77.5%). A reduction in Glycated Hemoglobinwas observed from 5.8% ± 0.5 in the preoperative period to5.1% ± 0.2 at 12 months (p = <0.001), and a reduction inTotal Cholesterol from 199.0mg/dL to 167.0mg/dL (p =<0.001) before and 12 months after gastroplasty, respecti-vely. In addition to these, we observed a statistically signifi-cant improvement in all anthropometric and biochemical va-riables analyzed, except fasting blood glucose. Discussion: These results can be explained based onchanges in the secretion of intestinal hormones, which helpwith better glucose, lipid and blood pressure control, in addi-tion to weight loss...(AU)

Novel Insights from Clinical Practice: Xia-Gibbs Syndrome with Pes Cavus, Conjunctival Melanosis, and Eye Asymmetry due to a de novo AHDC1 Gene Variant - A Case Report and a Brief Review of the Literature.

Introduction: Xia-Gibbs syndrome (OMIM 615829) is a rare developmental disorder, caused by heterozygous de novo variants in the AHDC1 gene. Hallmark features include global developmental delay, facial dysmorphisms, and behavioral problems. To date, more than 250 individuals have been diagnosed worldwide. Case Report: We report a 13-year-old female who, in association with typical features of Xia-Gibbs syndrome, presented with macrocrania, pes cavus, and conjunctival melanosis. Whole-exome sequencing identified a de novo frameshift variant, which had not been reported in the literature before. Conclusion: We summarized the main clinical and phenotypic features of patients described in the literature, and in addition, we discuss another feature found in our patient and observed in other cases described, eye asymmetry, which has never been highlighted, and suggest that it could be part of the typical clinical presentation of this condition.

Synthesis, spectroscopic, chemical reactivity, topology analysis and molecular docking study of ethyl 5-hydroxy-2-thioxo-4-(p-tolyl)-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate.

The organofluorine hexahydropyrimidine derivatives are used in the drug discovery due to its steric nature to hydrogen and its extreme electronegativity. The Ethyl 5-hydroxy-2-thioxo-4-(p-tolyl)-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate (ETP5C) compound was synthesized and characterized by NMR (13C and 1H), FT-IR and UV-Vis spectroscopic techniques for experimentally and theoretically and elemental analyses, mass spectra also investigated. The most stable structure of synthesized molecule was studied by PES analysis in gas and liquid medium. The structural parameters such as bond length and bond angle of the title molecule have been obtained by DFT/B3LYP/6-311++G (d,p) set and compared with the structurally related experimental data of the compounds. The π-to-π* transition of the ETP5C molecule is identified using UV-Vis absorption spectral analysis. In addition, the chemical stability and reactivity are investigated using HOMO-LUMO analysis. The minimal HOMO-LUMO energy gap (4.6255 eV) clearly explains that the ETP5C molecule is more reactive for receptors. The nucleophilic and electrophilic regions such as active sites have been shown by MEP, ELF, LOL and Fukui functions. The second order optical effect has been explained by NLO analysis. The docking was performed with antineoplastic proteins that exhibit against the development of tumor cells.

Post-treatment of soft drink industrial wastewater using a new antibacterial ultra-filtration membrane prepared of Polyethersulfone blended with boehmite-tannic acid-graphene quantum dot.

Polymeric membranes have garnered great interest in wastewater treatment; however, fouling is known as their main limitation. Therefore, the blending of hydrophilic nanoparticles in polymeric membranes' structure is a promising approach for fouling reduction. Herein, a hydrophilic boehmite-tannic acid-graphene quantum dot (BM-TA-GQD) nanoparticle was synthesized and blended in a polyethersulfone polymeric membrane in different percentages. The fabricated membranes were characterized by scanning electron microscopy (SEM), atomic force microscopy (AFM) images, water contact angle, porosity measurement, and antibacterial and antifouling properties. Surface SEM images of the modified membranes showed good dispersion of nanoparticles up to 0.5 wt%, which resulted in hydrophilicity and pure water flux enhancement. Based on AFM images, the mean roughness (Sa) of the fabricated membranes decreased from 2.07 to 0.84 nm for the bare and optimum membranes, respectively. In terms of performance, increasing the nanoparticle percentages up to 0.5 wt% resulted in the flux recovery ratio developing from 44.58% for the bare membrane to 71.35% for the 0.5 wt% BM-TA-GQD/PES membrane (optimum membrane). The antibacterial property of fabricated membranes was studied against biologically treated soft drink industrial wastewater (BTSDIW) as a bacterial source. The results showed that the turbidity of solutions containing permeated wastewater from the modified membranes (0.1, 0.5, and 1 wt% of BM-TA-GQD) was lower than that obtained from the unmodified membrane. These results confirmed the antibacterial properties of fabricated membranes. Finally, the optimal membrane (0.5 wt% BM-TA-GQD) was examined for post-treatment of the BTSDIW. An effluent COD of 13 mg/L and turbidity of 2 NTU showed a successful performance of the filtration process. PRACTITIONER POINTS: Ultrafiltration PES membranes were modified by different loadings of BM-TA-GQD. Hydrophilicity improvement was achieved by adding BM-TA-GQD nanoparticles. Expansion of size and number of macro-voids in modified membranes was confirmed. Membrane roughness was reduced in the BM-TA-GQD blended membranes. The optimum membrane was efficient in COD and turbidity removal.

The Resistance of Polyethersulfone Membranes on the Alkaline Cleaning Solutions.

Polyethersulfone (PES) is a polymer popularly used to produce ultrafiltration (UF) membranes. PES is relatively hydrophobic; thus, hydrophilic ingredients are added to the membrane matrix to reduce the fouling intensity. Ingredients such as polyvinylpyrrolidone (PVP) reduce the resistance of PES to NaOH solutions. This study investigated the possibility of using PES membranes for the separation of alkaline cleaning solutions. For this purpose, self-made PES membranes and commercial ultrafiltration PES membranes (UE10-10 kDa and UE50-100 kDa) containing PVP additive were used. The membranes were soaked for 18 months in alkaline (pH = 11.3-11.5) solutions of car washing fluids. It has been found that long-term contact with these solutions caused changes in the structure of the surface layer, especially of membranes containing PVP. As a result, the separation of dextran (100-200 kDa) decreased by 30-40% for PES membranes, 30-40% for UE10 and 40-60% for UE50. Despite these changes, the separation efficiency (rejection of COD, NTU and anionic surfactants) of synthetic car wash wastewater (mixture of surfactants and hydrowax) was similar to the results obtained for pristine membranes.

In silico comparative biomechanical analysis of oblique and chevron medial displacement calcaneal osteotomies for pes planus deformity.

BACKGROUND: Medializing displacement calcaneal osteotomy is commonly performed as part of reconstructive surgery for patients with valgus hindfoot and progressive pes planus deformity. Among several types of calcaneal osteotomies, the oblique and Chevron osteotomy patterns have been commonly described in the literature and gained popularity as they are easily reproducible through percutaneous techniques. Currently, there is scarce evidence in the literature on which cut pattern is superior in terms of stability. To investigate the impact of cut pattern and posterior fragment medialization level on foot biomechanics, computational methods are employed. METHODS: Ankle weightbearing computer tomography (CT) scans of seven patients diagnosed with stage II pes planus deformity are segmented and converted into 3D computational models. Oblique and Chevron osteotomy patterns are modeled independently for each patient. The posterior fragments are medially translated by 8-, 10- and 12-mm and subsequently fixated to the anterior calcaneus with two screws. A total of 42 models are exported to finite element software for biomechanical simulations. Among the investigated parameters, the higher stiffness and lower von Mises stress at the osteotomy interface and the screw site are assumed to be precursors of better stability. RESULTS: It is recorded that as the medialization level increases, the stiffness decreases, and overall stresses increase. Also, it is observed that the Chevron cut produces a stiffer construct while the overall stresses are lower, indicating better stability when compared to the oblique cut. The statistical comparisons of the relevant groups that support these trends are found to be significant (p < 0.05). CONCLUSION: Chevron osteotomy showed superior stability compared to the oblique osteotomy while underscoring the negative impact of increased medialization of the posterior fragment. CLINICAL RELEVANCE: Opting for a lower medialization level and implementing the Chevron technique may facilitate union and earlier weightbearing.

Effect of sequential burr passes on minimally invasive akin and first metatarsal dorsiflexion osteotomies.

BACKGROUND: Minimally invasive surgical (MIS) osteotomies are increasing as a surgical option for treating midfoot and forefoot conditions. This study aimed to evaluate the impact of each burr pass on the degree of correction, gap size, and alignment in MIS Akin and first metatarsal dorsiflexion osteotomies (DFO). METHODS: MIS Akin and first metatarsal DFO were performed on ten cadaveric specimens. Fluoroscopic measurements included the metatarsal dorsiflexion angle (MDA), dorsal cortical length (MDCL), first phalangeal medial cortical length (PCML) and proximal to distal phalangeal articular angle (PDPAA). RESULTS: The average decrease in PCML with each burr pass was as follows: 1.53, 1.33, 1.27, 1.23 and 1.13 mm at the 1st to 5th pass, respectively. The MDCL sequentially decreased by 1.80, 1.59, 1.35, 0.75, and 0.60 mm. The MDA consistently decreased, and the PDPAA incrementally became more valgus oriented. CONCLUSION: On average, a first metatarsal dorsal wedge resection of 4.7 mm and first phalangeal medial wedge resection of 2.9 mm was achieved after 3 and 2 burr passes, respectively. This data may aid surgeons determine the optimal number of burr passes required to achieve the desired patient-specific surgical correction.

Arsenic removal adsorbent using limonite-polyethersulfone composite fiber via continuous flow column process.

This research introduces an enhanced limonite-based composite fiber adsorbent for arsenic (As) removal. The modification involves creating polyethersulfone (PES)-limonite composite fibers loaded with 60 wt% limonite powders, designed to be applicable in water flow environments. The fibers were prepared using a wet-spinning process based on phase inversion, with varying concentrations (10, 20, and 30 wt%) of PES in NMP solution. The composite fiber with 10 wt% NMP exhibited a porous structure and demonstrated efficient absorption of both As(III) and As(V). Adsorption followed the Langmuir model, with qm values of 1.5 mg/g for As(III) and 3.2 mg/g for As(V) at pH 6. In column experiments, As removal rates increased with contact time, attributed to decreased flow rates (1 mL/min). Moreover, increasing fiber column height led to enhanced removal rates, as indicated by the Adams-Bohart model. The mechanism for As(V) removal involved the formation of an inner-sphere complex through ion exchange between α-FeOOH and HAsO4 - and H2 AsO4 2- in an aqueous solution at pH 6.8. PRACTITIONER POINTS: Changing the polyethersulfone ratio in the composite leads to variations in the appearance of limonite within each composite fiber. Limonite composite fibers effectively remove As(III) and As(V) at neutral pH. The adsorption behavior follows Langmuir kinetic model, the qm of 1.5 mg/g for As(III) and 3.2 mg/g for As(V). Longer columns and contact times enhance arsenic (As) removal in practical water treatment systems. Adam-Bohart model aids in predicting breakthrough and saturation time in As adsorption column design.

Reverse V-shaped osteotomy for ankylosing rocker-bottom foot deformity in patients with rheumatoid arthritis. A report of 3 cases.

This study evaluated reverse V-shaped osteotomy for ankylosing rocker-bottom foot deformity in patients with rheumatoid arthritis. We experienced 3 feet: rheumatoid rocker-bottom deformities with painful and/or infectious bony prominence towards the bottom of the foot, treated with a reverse V-shaped osteotomy in the mid-hindfoot. In all three cases, significant correction was achieved with restoration of the medial longitudinal arch, and improvement in clinical scores was confirmed. Reverse V-shaped osteotomy has the potential to be a useful and definitive procedure for ankylosing rocker-bottom deformity in patients with rheumatoid arthritis.