bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantum chemical study of CO2 physisorption and chemisorption on EDA‐grafted graphene oxide
Authors: Jin Jieli , Wen Zhengcheng , Li Shengqi , Huang Ju 
Published: February 2023

AbstractOrganic amine grafting on graphene oxide (GO) is a potentially good CO2 adsorbent. The mechanism of CO2 capture by ethylenediamine grafted GO (EDA‐GO) is studied in detail by quantum chemical method in this article. A reasonable adsorbent model is constructed, and through electrostatic potential analysis, it is found that the larger negative electrostatic potential (GOEP/GOCA: N(180)/N(30) site) is a better potential adsorption site. The physical adsorption energies are also larger (−44.37 kJ/mol, −49.90 kJ/mol) at the larger negative electrostatic potential sites. The quantum chemical calculation of CO2 adsorption is carried out at the optimal reaction site. Results show that EDA grafted on epoxy and carboxyl groups of GO have good adsorption performance for CO2. The catalytic effect of H2O in the atmosphere can significantly reduce the adsorption reaction energy, which only needs 20–45 kJ/mol. Compared with EDA‐GOEP, EDA‐GOCA has lower physical adsorption energy and chemical adsorption energy barrier. EDA‐GOCA has good adsorption performance. Moreover, the desorption energy barrier (29.0 kJ/mol) is slightly higher than the adsorption energy barrier (23.3 kJ/mol), which is conducive to adsorption and desorption repeatedly. It is helpful in the recycling and reuse of adsorbents. For the adsorption of CO2 by EDA‐GO, the conversion of hydroxyl and epoxy groups to carboxyl groups is very important. This study would contribute to the development and design of solid CO2 adsorbents based on GO. © 2023 Society of Chemical Industry and John Wiley & Sons, Ltd.
Experimental and numerical study on the heat transfer enhancement over scalene and curved‐side triangular ribs
Authors: Oleiwi Ahmed , Mohsen A. M. , Abdulkadhim Ammar , Abed Azher M. , Laidoudi Houssem , Abderrahmane Aissa 
Published: February 2023

AbstractThe present study examines the turbulent flow of mixed convection heat transfer enhancement within a rectangular channel considering three different novel shapes of ribs (smooth, scalene, and curved‐side triangular). The investigations were conducted experimentally by developing a new test facility, while the numerical computations were carried out using the finite volume method. The experimental work involves constructing of the channel, ribs, and all equipment and measurement instruments. The numerical work is based on ANSYS FLUENT considering the k–ε turbulent model. The results are presented and compared in terms of Nusselt number, friction factor, and performance factors for Reynolds numbers ranging between 3000 and 12,000. By comparing the average values of the numerically obtained Nusselt number with experimental measurements, the data showed a close agreement with a maximum difference of 5%. It also found that scalene triangular ribs (STRs) provide better performance in terms of heat transfer, although introducing a slight increase in friction losses. STRs showed (20%) increase in Nusselt number compared with smooth channel, and 3%–6% increase in Nusselt number compared with curved‐side triangular ribs (CTRs). In contrast, CTRs have a lower friction factor value of 5% compared with STRs at a low value of a Reynolds number of 3000. Furthermore, the Nusselt number changes significantly (250% increase) by increasing the value of the Reynolds number from 3000 to 12,000. A thermal performance factor of up to 1.28 was achieved for the STRs at the lowest range of Reynolds' number of 3000. The findings from the present study are of practical importance for industries requiring heat transfer enhancement techniques to improve heat transfer equipment performance.
Aroma of the essential oil of peppermint reduces aggressive driving behaviour in healthy adults
Authors: Moss Mark , Ho Jasmine , Swinburne Sophie , Turner Anna 
Published: February 2023

AbstractAggressive driving is of increasing concern in modern society. This study investigated the potential for the presence of an ambient aroma to reduce aggressive responses in a simulated driving situation. Previous literature has demonstrated the beneficial effect of peppermint (Mentha piperita) aroma on driver alertness and we aimed to identify any impact on aggressive driver behaviour. Fifty volunteers were randomly assigned to one of two conditions (peppermint essential oil aroma and no aroma). Aggressive driving behaviours were measured in a virtual reality driving simulator. The analysis indicated that the peppermint aroma significantly reduced aggressive driving behaviours. The presence of the aroma also produced medium sized effects on some aspects of mood from pre‐test levels. These results provide support for the use of ambient aromas for the modification of driving behaviours. It is proposed that applying peppermint into daily driving may be a beneficial for reducing driver aggression.
Spatial migration and distribution of suspended particles in saturated sand layer under the impact of temperature
Authors: Cui Xianze , Li Jin , Yang Guangdong , Fei Wenbin , Ding Shengyong , Fan Yong 
Published: February 2023

AbstractThe migration, deposition and detachment of suspended particles in saturated sands are used in many fields. Temperature is an important influencing factor in the transport and deposition process of particles in porous media, and it plays an important role in ground‐water heat pump (GWHP) projects. This article discusses the independent development of a three‐dimensional percolation sandbox test device and the design of a particle migration test based on the Reynolds number in the context of the backfilling process of GWHP systems as the experimental background. The effects of various temperatures (10, 25, and 40°C) on the movement of suspended particles in porous media were studied. The experimental results showed that as the temperature rose, more particles were deposited in the sand layer, the uneven flow of particles in the sand layer accelerated, and the particles spread out in the direction opposite to the non‐percolation direction with a wider distribution range in the sandbox. Increased temperature also promoted the percolation of smaller particles, causing the diffusion zone to terminate sooner and the deposition zone to last longer, resulting in the capture of more particles on the surface and in the pore channels of the sand layer.
Protocatechuic acid ameliorates lipopolysaccharide‐induced kidney damage in mice via downregulation of TLR‐4‐mediated IKBKB/NF‐κB and MAPK/Erk signaling pathways
Authors: Salama Abeer A. A. , Elgohary Rania , Fahmy Mohamed Ibrahim 
Published: February 2023

AbstractAcute kidney injury (AKI) is a very critical cause of death in the whole world. Lipopolysaccharide (LPS) induces kidney damage by activating various deleterious inflammatory and oxidative pathways. Protocatechuic acid, a natural phenolic compound, has shown to exert beneficial effects against oxidative and inflammatory responses. The study aimed to clarify the nephroprotective activity of protocatechuic acid in LPS‐induced acute kidney damage in mice. Forty male Swiss mice were allocated in four groups as follows: normal control group; LPS (250 μg/kg, ip)‐induced kidney injury group; LPS‐injected mice treated with protocatechuic acid (15 mg/kg, po), and LPS‐injected mice treated with protocatechuic acid (30 mg/kg, po). Significant toll‐like receptor 4 (TLR‐4)‐mediated activation of IKBKB/NF‐κB and MAPK/Erk/COX‐2 inflammatory pathways has been observed in kidneys of mice treated with LPS. Oxidative stress was revealed by inhibition of total antioxidant capacity, catalase, nuclear factor erythroid 2‐related factor 2 (Nrf2), and NAD(P)H quinone oxidoreductase (NQO1) enzyme along with increased nitric oxide level. In parallel, focal inflammatory effects were shown in between the tubules and glomeruli as well as in the perivascular dilated blood vessels at the cortex affecting the normal morphology of the kidney tissues of LPS‐treated mice. However, treatment with protocatechuic acid reduced LPS‐induced changes in the aforementioned parameters and restored normal histological features of the affected tissues. In conclusion, our study uncovered that protocatechuic acid has nephroprotective effects in mice with AKI through opposing different inflammatory and oxidative cascades.
Palladium‐catalyzed vinylation of cyclohexenes using a directing‐group strategy
Authors: Yen Chao‐Ting , Liu Yi‐Hung , Liu Shiuh‐Tzung 
Published: February 2023

AbstractPalladium‐promoted vinylation of cyclohexenes via employment of a directing‐group strategy to yield the coupled vinyl cyclohexenes with excellent regio‐ and stereoselectivity was studied. Typically, reaction of 2‐(cyclohex‐2‐en‐1‐yl)‐N‐tosylacetamide (1a) with (Z)‐styryl bromides (2) gave cis‐2‐[(E)‐styryl]cyclopent‐3‐en‐1‐yl‐N‐tosylacetamides in good to excellent yields. It is noticed that (Z)‐styryl moiety was inverted into (E)‐form in products. Unfortunately, (E)‐styryl bromide substrates were not suitable for this reaction under the condition investigated. Further studies on norbornene system, we found that palladium‐catalyzed reaction of endo‐N‐tosylbicyclo[2.2.1]hept‐5‐ene‐2‐carboxamide (6) with styryl bromides gave the Aza‐Heck type products.
Multilayered membrane spacer: does it enhance solution mixing?
Authors: Khudhur Abbas Al‐Amshawee Sajjad , Bin Mohd Yunus Mohd Yusri , Habib Dakhil Ihsan 
Published: February 2023

AbstractThe present review systematically investigates and illustrates the effect of multilayered membrane spacers on the features of fluid dynamics that influence all performance metrics. Multilayer spacers are frequently composed of three sets of filaments (i.e., top, middle, and bottom layers), which has the benefit of increasing mass transfer and decreasing membrane surface fouling when compared to ordinary monolayer (e.g., extruded spacer) and two‐layer spacers. The review found that the multilayer spacer's middle layer disperses primary flow to the thin side spacers placed near the membrane's surfaces. The thin side spacers will then form narrow passageways to keep the solution in situ for as long as mass transfer is achievable. The employment of thin spacers close to the membranes at satisfactory operational conditions (e.g., adequate flow velocity) results in swirling flows and incorporation of transverse and longitudinal eddies near to the membranes, reducing the boundary layer's width and making the associated ion concentration domain at the membranes much more consistent. The concept and implementation of multilayer geometry in feed channels appears to be promising, since a multilayered spacer can function at a lower maximum flow velocity than normal two‐layer spacers, saving operational energy while minimizing concentration gradients at the membrane surfaces. Furthermore, the multilayer structure's durability and mechanical strength may help to reduce membrane deformation and maintain long processes. Future studies might look at significantly reducing spacer thickness for industrial uses. © 2023 Society of Chemical Industry (SCI).
Using Machine Learning Methods to Assess Lymphovascular Invasion and Survival in Breast Cancer: Performance of Combining Preoperative Clinical and MRI Characteristics
Authors: Xu Zeyan , Xie Yu , Wu Lei , Chen Minglei , Shi Zhenwei , Cui Yanfen , Han Chu , Lin Huan , Liu Yu , Li Pinxiong , Chen Xin , Ding Yingying , Liu Zaiyi 
Published: February 2023

BackgroundPreoperative assessment of lymphovascular invasion (LVI) in invasive breast cancer (IBC) is of high clinical relevance for treatment decision‐making and prognosis.PurposeTo investigate the associations of preoperative clinical and magnetic resonance imaging (MRI) characteristics with LVI and disease‐free survival (DFS) by using machine learning methods in patients with IBC.Study TypeRetrospective.PopulationFive hundred and seventy‐five women (range: 24–79 years) with IBC who underwent preoperative MRI examinations at two hospitals, divided into the training (N = 386) and validation datasets (N = 189).Field Strength/SequenceAxial fat‐suppressed T2‐weighted turbo spin‐echo sequence and dynamic contrast‐enhanced with fat‐suppressed T1‐weighted three‐dimensional gradient echo imaging.AssessmentMRI characteristics (clinical T stage, breast edema score, MRI axillary lymph node status, multicentricity or multifocality, enhancement pattern, adjacent vessel sign, and increased ipsilateral vascularity) were reviewed independently by three radiologists. Logistic regression (LR), eXtreme Gradient Boosting (XGBoost), k‐Nearest Neighbor (KNN), and Support Vector Machine (SVM) algorithms were used to establish the models by combing preoperative clinical and MRI characteristics for assessing LVI status in the training dataset, and the methods were further applied in the validation dataset. The LVI score was calculated using the best‐performing of the four models to analyze the association with DFS.Statistical TestsChi‐squared tests, variance inflation factors, receiver operating characteristics (ROC), Kaplan–Meier curve, log‐rank, Cox regression, and intraclass correlation coefficient were performed. The area under the ROC curve (AUC) and hazard ratios (HR) were calculated. A P‐value <0.05 was considered statistically significant.ResultsThe model established by the XGBoost algorithm had better performance than LR, SVM, and KNN models, achieving an AUC of 0.832 (95% confidence interval [CI]: 0.789, 0.876) in the training dataset and 0.838 (95% CI: 0.775, 0.901) in the validation dataset. The LVI score established by the XGBoost model was an independent indicator of DFS (adjusted HR: 2.66, 95% CI: 1.22–5.80).Data ConclusionThe XGBoost model based on preoperative clinical and MRI characteristics may help to investigate the LVI status and survival in patients with IBC.Level of Evidence3Technical EfficacyStage 2
Downregulation of miR‐193a/b‐3p during HPV‐induced cervical carcinogenesis contributes to anchorage‐independent growth through PI3K–AKT pathway regulators
Authors: Xu Mengfei , Huseinovic Angelina , Jaspers Annelieke , Yuan Lushun , Steenbergen Renske D. M. 
Published: February 2023

AbstractCervical cancer is caused by a persistent infection with high‐risk types of human papillomavirus (HPV) and an accumulation of (epi)genetic alterations in the host cell. Acquisition of anchorage‐independent growth represents a critical hallmark during HPV‐induced carcinogenesis, thereby yielding the most valuable biomarkers for early diagnosis and therapeutic targets. In a previous study, we found that miR‐193a‐3p and miR‐193b‐3p were involved in anchorage‐independent growth. This study aimed to delineate the role of miR‐193a/b‐3p in HPV‐induced carcinogenesis and to identify their target genes related to anchorage‐independent growth. Cell viability and colony formation were assessed in SiHa cancer cells and HPV‐16 and ‐18 immortalized keratinocytes upon miR‐193a/b‐3p overexpression. Both microRNAs reduced cell growth of all three cell lines in low‐attachment conditions and showed a minor effect in adherent conditions. Online target‐predicting programs and publicly available expression data were used to find candidate messenger RNA (mRNA) targets of miR‐193a/b‐3p. Seven targets showed reduced mRNA expression upon miR‐193a/b‐3p overexpression. For three targets, Western blot analysis was also performed, all showing a reduced protein expression. A direct interaction was confirmed using luciferase assays for six genes: LAMC1, PTK2, STMN1, KRAS, SOS2, and PPP2R5C, which are phosphatidylinositol 3‑kinase/protein kinase B (PI3K–AKT) regulators. All six targets were overexpressed in cervical cancers and/or precursor lesions. Together with an observed downregulation of phosphorylated‐AKT upon miR‐193a/b‐3p overexpression, this underlines the biological relevance of miR‐193a/b‐3p downregulation during HPV‐induced cervical carcinogenesis. In conclusion, the downregulation of miR‐193a‐3p and miR‐193b‐3p is functionally involved in the acquisition of HPV‐induced anchorage independence by targeting regulators of the PI3K–AKT pathway.
A combined use of different functional additives for improvement of wheat flour quality for bread making
Authors: Iqbal Saba , Arif Saqib , Khurshid Salman , Iqbal Hafiza Mehwish , Akbar Qurrat‐Ul‐Ain , Ali Tahira Mohsin , Mohiuddin Shaikh 
Published: February 2023

AbstractBACKGROUNDLow‐protein wheat flour can produce bread with poor texture and appearance, reducing its nutritional value and market appeal. This is a growing concern for both the food industry and consumers relying on wheat as a dietary staple. The present study evaluated the individual and combined effects of bacterial xylanase (BX), maltogenic α‐amylase (MG), vital gluten (VG) and ascorbic acid (AA) with respect to improving weak flour properties for bread making.RESULTSBX, VG and AA improved gluten Index (GI), whereas MG was employed for optimizing amylolytic‐activity in flour. VG increased the water absorption (WA) capacity of flour and prolonged dough development time (DDT). The dough stability (DST) was increased by BX and VG. BX and MG decreased crumb firmness (CF) and showed anti‐staling effect. All additives reduced bake loss, increased loaf volume (LV) and retained or improved sensory attributes of bread. However, MG at 60 mg kg−1 (MG60), BX at 30 mg kg−1 (BX30), VG at 5% (VG5) and AA at 50 mg kg−1 (AA50) were found to be the most suitable for evaluating in combinations. Ternary combinations of MG60, BX30, VG5 or AA50 imparted significantly (P < 0.05) positive impacts on GI, WA, DDT, DST, CF, LV and sensory attributes compared to control, individual and binary combinations.CONCLUSIONThe PCA suggested that a combination of MG60 + VG5 was more similar to MG60 + BX30 + VG5, whereas, MG60 + BX30 and MG60 + AA50 were more related to MG60 + BX30 + AA50 combination, but all of these combinations showed the improvement in the characteristics compared to control flour. © 2023 Society of Chemical Industry.
The ability of magnetic resonance imaging to predict lymph node metastases and the risk of recurrence in rectal cancer
Authors: Lehtonen Taru M. , Ilvesmäki Anna , Koskenvuo Laura E. , Lepistö Anna H. 
Published: February 2023

AbstractAimThis study aimed to examine the diagnostic accuracy and prognostic value of magnetic resonance imaging (MRI) detected lymph nodes in rectal cancer.MethodWe evaluated 806 rectal cancer patients consecutively operated on between 2015 and 2018 at Helsinki University Hospital. In total, 485 patients met the inclusion criteria of presenting with stage I–III disease and were intended for curative treatment at the time of diagnosis. The effect of MRI‐detected clinical lymph node status (cN) on cumulative overall survival (OS), disease‐specific survival (DSS) and disease‐free survival (DFS) was calculated using the Kaplan–Meier analysis.ResultsNegative predictive value (NPV) of MRI‐lymphnode negativity was 74.8%. Positive predictive value of lymph node metastasis was only 48.6%. In the Kaplan–Meier survival analysis, OS (p = 0.989), DSS (p = 0.911), and DFS (p = 0.109) did not significantly differ according to MRI nodal status. However, cumulative disease‐free survival significantly (p < 0.001) differed according to the histopathological lymph node metastasis status (pN).ConclusionsMRI detected lymph node positivity appears insufficiently precise and cannot predict disease recurrence or survival. Therefore, it should not serve as an independent risk factor when considering neoadjuvant treatment options for rectal cancer patients.
Successful long‐term treatment of pyoderma gangrenosum with secukinumab
Authors: Froehlich Fabienne , Dreßler Miriam , Staeger Ramon , French Lars E. , Meier‐Schiesser Barbara 
Published: February 2023

AbstractPyoderma gangrenosum (PG) belongs to the group of classical neutrophilic dermatoses and is characterised by painful ulcerations. While the clinical features have been well described, the underlying pathological mechanisms are incompletely understood and adequate treatment remains challenging. A 63‐year‐old male patient had suffered from recalcitrant ulcerations on the back, groins and legs for over 20 years. Due to suspicion of PG, a skin biopsy of the flank was obtained, which was confirming the suspected diagnosis. Following several frustrating attempts to treat, another skin biopsy was carried out and a cytokine profile by quantitative reverse transcription polymerase chain reaction was performed. Compared to healthy skin, a notable upregulation of interleukin (IL)‐17A and IL‐8 was detected. Subsequently, treatment with the anti‐IL17 antibody secukinumab was started. After 3 months of treatment, the PG area was 0 cm2. Due to the discontinuation of the drug by the patient typical PG lesions reappeared, all of which disappeared again within a few weeks of restarting secukinumab therapy. At month 23, the PG area was again 0 cm2 and this complete response was maintained under secukinumab therapy to this day (76 months after the onset of secukinumab therapy). This case of a patient with therapy‐resistant PG and subsequent long‐term responsiveness to anti‐IL‐17 therapy supports the potential importance of the Th17 axis in PG. Collectively, treatment of PG using IL‐17 antagonists seems to be very promising.
Feasibility of moxifloxacin and proflavine dual fluorescence imaging for detecting gastrointestinal neoplastic lesions: A prospective study
Authors: Nam Kwangwoo , Park Noseong , Lee Seunghun , Jeon Suil , Lee Jungbin , Hong Seung‐Mo , Hwang Sung Wook , Park Sang Hyoung , Yang Dong‐Hoon , Ye Byong Duk , Byeon Jeong‐Sik , Yang Suk‐Kyun , Lee Jeong Hoon , Kim Do Hoon , Kim Ki Hean , Myung Seung‐Jae 
Published: February 2023

AbstractObjectivesHigh‐contrast and high‐resolution imaging techniques would enable real‐time sensitive detection of the gastrointestinal lesions. This study aimed to investigate the feasibility of novel dual fluorescence imaging using moxifloxacin and proflavine in the detection of neoplastic lesions of the human gastrointestinal tract.MethodsPatients with the colonic and gastric neoplastic lesions were prospectively enrolled. The lesions were biopsied with forceps or endoscopically resected. Dual fluorescence imaging was performed by using custom axially swept wide‐field fluorescence microscopy after topical moxifloxacin and proflavine instillation. Imaging results were compared with both confocal imaging with cell labeling and conventional histological examination.ResultsTen colonic samples (one normal mucosa, nine adenomas) from eight patients and six gastric samples (one normal mucosa, five adenomas) from four patients were evaluated. Dual fluorescence imaging visualized detail cellular structures. Regular glandular structures with polarized cell arrangement were observed in normal mucosa. Goblet cells were preserved in normal colonic mucosa. Irregular glandular structures with scanty cytoplasm and dispersed elongated nuclei were observed in adenomas. Goblet cells were scarce or lost in the colonic lesions. Similarity analysis between moxifloxacin and proflavine imaging showed relatively high correlation values in adenoma compared with those in normal mucosa. Dual fluorescence imaging showed good detection accuracies of 82.3% and 86.0% in the colonic and the gastric lesions, respectively.ConclusionsHigh‐contrast and high‐resolution dual fluorescence imaging was feasible for obtaining detail histopathological information in the gastrointestinal neoplastic lesions. Further studies are needed to develop dual fluorescence imaging as an in vivo real‐time visual diagnostic method.