bluuebunny/crossref_metadata_2025_split huggingface dataset:
Selectivity and competitive mechanism of cation exchange resin for Fe, Mg, and Al ions in phosphoric acid
Authors: Yan Xuefang , Zhen Honggang , Wang Bo , Yang Lin 
Published: October 2023

AbstractThe presence of iron, magnesium, and aluminum elements as the primary impurities in wet‐process phosphoric acid (WPA) adversely affects the industrial phosphoric acid and subsequent phosphorus chemical products. This study aims to investigate the selectivity and competition mechanism of Sinco‐430 cation exchange resin for Fe, Mg, and Al ions in phosphoric acid solution. By studying the effects of different process conditions on the removal efficiency, the suitable conditions for the static removal of metal ions from Fe‐Mg, Al‐Mg, and Fe‐Al binary systems were determined: solid–liquid mass ratio (S/L) of 0.3, phosphoric acid concentration of 27.61 wt.%, system temperature of 50°C, and rotational speeds of 200, 400, and 200 rpm, respectively. By calculating the selectivity coefficients of the resin for metal ions under different experimental conditions and mutual replacement experiments, the semi‐empirical formulas for the selectivity coefficients were derived and order of selectivity was determined as follows: Mg2+ > Fe2+ > Al3+. Visual MINTEQ 3.1 software and density functional theory (DFT) calculations demonstrated that at low pH, the main forms of Fe, Mg, and Al present in phosphoric acid were FeH2PO4+, Mg2+, and AlH2PO42+, respectively. This finding explained the differences in selectivity of the resin for Fe, Mg, and Al. The dynamic removal of metal ions from phosphoric acid was investigated. The order of metal ion selectivity of the resin by the dynamic method is the same as that of the static method, and the dynamic exchange behaviour was most consistent with the Yan model.
Click‐on Antibody Fragments for Customisable Targeted Nanomedicines – Site‐specific Tetrazine and Azide Functionalisation through Non‐canonical Amino Acid incorporation
Authors: Huda Pie , Humphries James , Fletcher Nicholas L. , Howard Christopher B. , Thurecht Kristofer J. , Bell Craig A. 
Published: October 2023

AbstractProtein functionalisation for the development of imaging agents and antibody drug conjugates still often relies on statistical amidation of the protein through accessible lysine and cysteine residues, requiring protein to protein conjugation optimisation and can potentially impact the overall function. To combat this, focus has turned to developing proteins that have noncanonical amino acids incorporated into their structure, allowing for site‐specific labelling and functionalisation. Herein we showcase the incorporation of non‐canonical amino acids bearing a tetrazine or azide orthogonal coupling modality into biologics targeted to the prostate‐specific membrane antigen and epidermal growth factor receptor respectively. The placement of these bioorthogonal residues into nanobody or single chain variable fragments (scFvs) is introduced by site‐directed mutagenesis of the protein‐coding DNA that allows for controlled insertion when these proteins are expressed. We show that bioorthogonal coupling of model compounds such as fluorophore or polymeric materials onto the protein does not significantly change the binding affinity, making these protein conjugation methods a powerful tool for development of simple customisable personalised targeted antibody‐drug conjugates where affinity is retained.
Investigation of pathogenic germline variants in gastric cancer and development of “GasCanBase” database
Authors: Hossain Mohammad Uzzal , Ahammad Ishtiaque , Moniruzzaman Md. , Akter Lubna Mahbuba , Bhattacharjee Arittra , Mahmud Chowdhury Zeshan , Ahmed Istiak , Hosen Md. Billal , Biswas Shourov , Chandra Das Keshob , Keya Chaman Ara , Salimullah Md. 
Published: October 2023

AbstractBackgroundGastric cancer, which is also known as stomach cancer, can be influenced by both germline and somatic mutations. Non‐synonymous Single Nucleotide Polymorphisms (nsSNPs) in germline have long been reported to play a pivotal role in cancer progression.AimThe aim of this study is to examine the nsSNP in GC‐associated genes. The study also aims to develop a database with extensive information regarding the nsSNPs in the GC‐associated genes and their impacts.Methods and ResultsA total of 34,588 nsSNPs from 1,493,460 SNPs of the 40 genes were extracted from the available SNP database. Drug binding and energy minimization were examined by molecular docking and YASARA. To validate the existence of the germline CDH1 gene mutation (rs34466743) in the isolated blood DNA of gastric cancer (GC) patients, polymerase chain reaction (PCR) and DNA sequencing were performed. According to the results of the gene network analysis, 17 genes may interact with other types of cancer. A total of 11,363 nsSNPs were detected within the 40 GC genes. Among these, 474 nsSNPs were predicted to be damaging and 40 to be the most damaging. The SNPs in domain regions were thought to be strong candidates that alter protein functions. Our findings proposed that most of the selected nsSNPs were within the domains or motif regions. Free Energy Deviation calculation of protein structure pointed toward noteworthy changes in the structure of each protein that can demolish its natural function. Subsequently, drug binding confirmed the structural variation and the ineffectiveness of the drug against the mutant model in individuals with these germline variants. Furthermore, in vitro analysis of the rs34466743 germline variant from the CDH1 gene confirmed the strength and robustness of the pipeline that could expand the somatic alteration for causing cancer. In addition, a comprehensive gastric cancer polymorphism database named “GasCanBase” was developed to make data available to researchers.ConclusionThe findings of this study and the “GasCanBase” database may greatly contribute to our understanding of molecular epidemiology and the development of precise therapeutics for gastric cancer. GasCanBase is available at: https://www.gascanbase.com/.
The role of corporate social responsibility and corporate social irresponsibility in shaping corporate reputation: An analysis of competitive action and innovation strategies
Authors: Lin Woon Leong 
Published: October 2023

AbstractThis study delves into the intricate interplay of Corporate Social Responsibility (CSR) and Corporate Social Irresponsibility (CSI) within the context of corporate reputation, further illuminated by the influential moderating effects of competitive action and innovation. It underscores that CSR positively influences firms' corporate reputation, aligning with established notions of ethical practices enhancing stakeholder trust and public perception. Conversely, CSI's adverse impact on corporate reputation serves as a cautionary tale against ethical negligence. To explore this link, the study analyzes a sample of top global automotive firms using dynamic panel data system Generalized Method of Moments (GMM) estimates. The investigation of secondary data from 132 global automotive firms over the period 2016–2022 finds evidence supporting the association between CSR, CSI, and reputation. Notably, competitive action emerges as a significant moderator in this equation. The study reveals that firms with high competitive action experience a more pronounced positive relationship between CSR and corporate reputation, while a parallel link exists between competitive action and the adverse influence of CSI on reputation. This underlines competition's role in intensifying reputational effects. Additionally, innovation assumes a similar role as a moderator. High innovation levels accentuate the positive CSR‐corporate reputation relationship, underscoring the potency of innovation in amplifying ethical impact. Conversely, innovation mitigates the negative CSI‐corporate reputation link, highlighting the potential of innovative practices to offset the repercussions of irresponsibility. In conclusion, this study provides a nuanced understanding of how CSR, CSI, competitive action, and innovation collectively shape corporate reputation. This intricate nexus unveils the intertwined dynamics of ethics, competition, and innovation that define modern corporate landscapes, casting light on their far‐reaching implications for organizations' reputational trajectories.
Modification of Al Surface via Acidic Treatment and its Impact on Plating and Stripping
Authors: Rahide Fatemehsadat , Palanisamy Krishnaveni , Flowers Jackson K. , Hao Junjie , Stein Helge S. , Kranz Christine , Ehrenberg Helmut , Dsoke Sonia 
Published: October 2023

AbstractAmorphous Al2O3 film that naturally exists on any Al substrate is a critical bottleneck for the cyclic performance of metallic Al in rechargeable Al batteries. The so‐called electron/ion insulator Al oxide slows down the anode's activation and hinders Al plating/stripping. The Al2O3 film induces different surface properties (roughness and microstructure) on the metal. Al foils present two optically different sides (shiny and non‐shiny), but their surface properties and influence on plating and stripping have not been studied so far. Compared to the shiny side, the non‐shiny one has a higher (~28 %) surface roughness, and its greater concentration of active sites (for Al plating and stripping) yields higher current densities. Immersion pretreatments in Ionic‐Liquid/AlCl3‐based electrolyte with various durations modify the surface properties of each side, forming an electrode‐electrolyte interphase layer rich in Al, Cl, and N. The created interphase layer provides more tunneling paths for better Al diffusion upon plating and stripping. After 500 cycles, dendritic Al deposition, generated active sites, and the continuous removal of the Al metal and oxide cause accelerated local corrosion and electrode pulverization. We highlight the mechanical surface properties of cycled Al foil, considering the role of immersion pretreatment and the differences between the two sides.
Major companies cracking down on customers abusing the accommodation process
Authors: Lyerly Eric 
Published: October 2023

Major companies, including theme parks and airlines, are refining their processes for customers who need to request accommodations due to disability. This trend, which was first reported on by the Wall Street Journal, is a response to individuals without disabilities seeking accommodations to save money, cut long lines (at theme parks), and obtain other advantages (https://on.wsj.com/3KZMV7l). Interestingly, businesses are utilizing help from nonprofits and credentialing organizations to help determine who qualifies for accommodations.
Modeling framework for batch‐dependent dynamics of reaction process by combining first principles and machine learning
Authors: Ishitobi Taichi , Kono Yohei , Mochizuki Yoshinori 
Published: October 2023

AbstractWe propose a modeling framework for automating batch processes operation. Batch processes are often controlled by PID controllers, where engineers manually regulate their parameters and temporal patterns of reference signals. Therefore, it takes a long time for optimizing these parameters and temporal patterns. A possible solution for this is to apply so‐called Model Predictive Control (MPC) technology to the tuning. Here, batch process dynamics depend on the types of products and of equipment, thereby forcing engineers to construct and maintain multiple models that correspond to the number of combinations of product types and equipment types. Thus, batch process modeling is a time‐consuming and complicated task. To solve this problem, we propose a modeling framework; about a modeling target, the part applying commonly and parameters can be decided in advance are constructed by mathematical models, and the part that required experimentation for designing or tuning are constructed by machine learning models. We expect this framework can improve estimation accuracy and suppressing the number of model construction by separating model construction and combining the mathematical and machine learning models. In our simulation, we confirmed that our proposed model can suppress prediction error (RMSE) of reactor temperature under 1 K. Furthermore, an optimization algorithm with our model can find a temporal pattern of a reference signal so as to reduce control error of reactor temperature under 1.99 K.
Synthesis of a Novel Hybrid Ligand System Incorporating Classic Moieties through Acylation of 2,3,3‐Trimethylindolenine
Authors: Wang Xiaobai , Rüttger Franziska , Krawczuk Anna , Herbst‐Irmer Regine , Stalke Dietmar 
Published: October 2023

AbstractIn main group chemistry, the BDI ligand ([HC(C(Me)N(R))2]), more commonly known as NacNac, has proved indispensable over the last two decades. Within this work, we are introducing the hybrid NacNac‐akin ligand 3,3‐dimethyl‐2‐[2‐methyl‐2‐(2,6‐diisopropyl‐aniline)ethenyl]‐3H‐indolenine (DNI). On the basis of this novel ligand, alkali metal complexes [DNI(M1)] [M1=Li (3(OEt2)), Na (4(THF)3), and K (5(THF)3)] have been synthesized by facile deprotonation of the ligand's backbone. The reaction of DNI with AlH3 ⋅ NMe2Et led to the aluminium dihydride compound [DNI‐AlH2] (6) in excellent yield (90 %). Further synthesis of [DNI‐AlI2] (7), which is seen as a potential precursor for the aluminium(I) complex, was realized in the presence of 1.0 equiv. iodine with 6. All products 2–7 were completely characterized by 2D‐NMR, mass spectrometry, elemental analysis and SC‐XRD. Density functional theory calculations were performed to provide better understanding of their bonding characteristics and electronic structures.
DBU‐Catalyzed Benzannulation towards Stilbene and Biaryl Derivatives from Acyclic Amides with Methyl Coumalate
Authors: Qin Jialiang , Ke Mingji , Deji Cuo , Xin Shangping , Xue Yongbo , Zhan Ruoting , Huang Huicai 
Published: October 2023

AbstractThe DBU‐catalyzed benzylation of 1H‐benzotriazole amides with methyl coumalate is demonstrated for the synthesis of stilbenes and biaryl derivatives. The transformation involves the base‐catalyzed Michael addition of methyl coumalate to the 6π‐electrocyclic ring opening decarboxylation aromatization. Furthermore, the novel 2‐phenylnaphthalene derivatives showed potent anti‐proliferative and anti‐invasive activities against H1299 cells.
Efficacy and tolerability of add‐on stiripentol in real‐world clinical practice: An observational study in Dravet syndrome and non‐Dravet developmental and epileptic encephalopathies
Authors: Gil‐Nagel Antonio , Aledo‐Serrano Angel , Beltrán‐Corbellini Álvaro , Martínez‐Vicente Laura , Jimenez‐Huete Adolfo , Toledano‐Delgado Rafael , Gacía‐Morales Irene , Valls‐Carbó Adrián 
Published: October 2023

AbstractObjectiveTo assess efficacy and tolerability of stiripentol (STP) as adjunctive treatment in Dravet syndrome and non‐Dravet refractory developmental and epileptic encephalopathies (DREEs).MethodsRetrospective observational study of all children and adults with DREE and prescribed adjunctive STP at Hospital Ruber Internacional from January 2000 to February 2023. Outcomes were retention rate, responder rate (proportion of patients with ≥50% reduction in total seizure frequency relative to baseline), seizure freedom rate, responder rate for status epilepticus, rate of adverse event and individual adverse events, reported at 3, 6, and 12 months and at final visit. Seizure outcomes are reported overall, and for Dravet and non‐Dravet subgroups.ResultsA total of 82 patients (55 Dravet syndrome and 27 non‐Dravet DREE) were included. Median age was 5 years (range 1–59 years), and median age of epilepsy onset was younger in the Dravet group (4.9 [3.6–6] months) than non‐Dravet (17.9 [6–42.3], P < 0.001). Median follow‐up time STP was 24.1 months (2 years; range 0.3–164 months) and was longer in the Dravet group (35.9 months; range 0.8–164) than non‐Dravet (17 months range 0.3–62.3, P < 0.001). At 12 months, retention rate, responder rate and seizure free rate was 68.3% (56/82), 65% [48–77%] and 18% [5.7–29%], respectively. There were no statistically significant differences between groups on these seizure outcomes. Adverse events were reported in 46.3% of patients (38/82), without differences between groups.SignificanceIn this population of patients with epileptic and developmental encephalopathies, outcomes with adjunctive STP were similar in patients with non‐Dravet DREE to patients with Dravet syndrome.
Computational study on thermal management for an air‐cooled lithium‐ion battery
Authors: Moralı Uğur 
Published: October 2023

AbstractIn this study, a comprehensive simulation study was carried out to obtain detailed battery temperature behaviors. The influences of air inlet temperature, air flow rate, C‐rate, and free stream temperature were investigated on the temperature uniformity and maximal battery temperature. Taguchi design is implemented to investigate the main effects of four control parameters in the battery thermal management process. Results indicated that as the free stream temperature (delta = 7.3366) was the most influential factor for the temperature uniformity, the air inlet temperature (delta = 0.2679) was the most efficient factor for the maximal battery temperature. The contribution of the air inlet temperature was 28% and 38% for temperature uniformity and maximal battery temperature, respectively. Additionally, the free stream temperature contributed 32% to temperature uniformity and 25% to the maximum battery temperature. The airflow rate was found to be the least effective factor for temperature uniformity (delta = 2.8672) and maximal battery temperature (delta = 0.0506). The results could be helpful in the design of a lithium‐ion battery thermal management process to improve temperature uniformity and maximal battery temperature.
COL1A1::PDGFB fusion uterine sarcoma with a TERT promoter mutation
Authors: Lu Yang , Chen Xinyi , Zeng Wenjing , Hua Ping , Shen Yangmei , Qiu Yan , He Xin , Zhang Hongying 
Published: October 2023

AbstractCOL1A1::PDGFB fusion uterine sarcoma is a rare uterine mesenchymal tumor with some clinicopathological features that overlap with those of soft tissue dermatofibrosarcoma protuberans. However, the varied clinicopathologic and genetic characteristics have not been fully revealed, which may be a potential pitfall for diagnosis. Here, we present a case of COL1A1::PDGFB fusion‐positive uterine sarcoma in a 49‐years‐old female. Histologically, the tumor from the initial marginal excision predominantly exhibited high‐grade fibrosarcomatous and myxofibrosarcoma‐like appearances, while a low‐grade focal area displaying storiform growth was identified in the residual tumor after subsequently extended resection. Immunohistochemically, the high‐grade components mainly exhibited focal positivity for CD34 and mutated‐type p53 immunoreactivity, whereas the low‐grade component showed diffuse positivity for CD34 and wild‐type p53 staining. The COL1A1::PDGFB fusion was confirmed by fluorescence in situ hybridization and next‐generation sequencing. In addition, the TERT‐124 C > T mutation was further identified in this lesion's fibrosarcomatous and classic storiform components. To the best of our knowledge, this is the first described case of COL1A1::PDGFB fusion uterine sarcoma with a TERT promoter mutation, which might be a novel genetic finding associated with tumorigenesis of this rare tumor.
Surveillance of Treated and Untreated Funguria in a University Hospital
Authors: Gubbins Paul O. , Occhipinti Donna J. , Danziger Larry H. 
Published: October 2023

Study Objective. To determine the influence of treatment on the microbiologic outcome of funguria.Design. Retrospective case series.Setting. A 300‐bed tertiary care teaching hospital in a large metropolitan area.Subjects. 141 hospitalized patients, 18 years of age or older, with at least one urine culture positive (≥ 102 cfu/ml) for fungi.Interventions. Retrospective review of medical records to determine the microbiologic outcome of funguria.Main Results. Funguria developed rapidly in individuals with known predisposing factors. Urinalysis did not routinely detect the presence of fungi or pyuria. Symptoms such as fever, dysuria, and frequency were generally absent. Funguria persisted whether it was due to Candida albicans or non‐albicans species. There were no statistical differences in the microbiologic outcomes of treated and untreated funguria.Conclusions. Funguria is a rapidly developing, often benign and persistent process. Minimizing predisposing risks, such as removing indwelling urinary catheters, is beneficial in its management. Pharmacologic treatment of funguria due to C. albicans or non‐albicans species does not influence the microbiologic outcome.
Overview of Enzyme Inhibitors and Anti‐Androgens in Prostatic Cancer
Authors: GELLER JACK 
Published: October 2023

AbstractSurgical castration and estrogen therapy for prostate cancer were developed in 1941, and have been shown to improve both quality of life and survival. Little change in the therapeutics of prostate cancer has occurred over the subsequent three decades. In the 1970s, the progestational anti‐androgens, ketoconazole and flutamide, were introduced as androgen‐blocking agents, and have been shown to block at least partially both adrenal and testicular androgens. Gonadotropin‐releasing hormone (GnRH) agonists were shown in the 1980s to produce medical castration without the cardiac and cerebrovascular risks of standard dose estrogen. In the 1980s, large‐scale, multicenter, double‐blind studies were done to compare the effect of combined androgen blockade, using multiple drugs, to single‐drug blockade of gonadal androgen with regard to time to progression and survival in stage D2 cancer. These studies were done to test theories regarding the role of adrenal androgens and their effects on androgen‐sensitive tumor clones in prostate cancer. The theory of clonal heterogeneity, particularly with regard to androgen sensitivity, has led to the continuation of three major controversies about the management of prostate cancer: Is combined blockade of testicular and adrenal androgens in stage D2 prostate cancer more effective than gonadal androgen blockade alone? What is the optimal secondary or tertiary therapy for relapsed prostate cancer? Is there any advantage for combined androgen blockade at the start of therapy in stage D2 prostate cancer as compared to sequential therapy with blockade of testicular androgens first, and then adrenal androgens at the time of relapse?
Syntheses and characterization of novel antimony (III) and bismuth (III) derivatives containing β‐enamino ester along with antimicrobial evaluation, DFT calculation, and cytotoxic study
Authors: Sangwan Reena , Beniwal Savita , Gaur Seema , Sharma Phulwanti , Mittal Megha , Sharma Priyanka , Sharma Jyoti 
Published: October 2023

AbstractFour novel antimony (III) and bismuth(III) complexes of the kind Cl–Sb–O–C(OR)–CH(CH3)C–NH–(CH2)2–NH–C(CH3)CH:C(OR)–O [where R = ‐CH3, M = Sb (1a); R = –C2H5, M = Sb (1b); R = –CH3, M = Bi (1c); R = –C2H5, M = Bi (1d)] were successfully prepared by reacting antimony(III)chloride and bismuth(III)chloride with sodium salt of β‐enamino esters in 1:1 stoichiometry, which were further structurally characterized by physicochemical and IR, 1H, 13C NMR spectral and mass spectrometry. Structural analysis revealed that all four derivatives of both antimony and bismuth display octahedarl geometry which has been optimized through computational studies. These derivatives along with their parent ligands were subsequently assayed in vitro for antibacterial (Bacillus subtilis, Pseudomonas aeruginosa) and antifungal (Aspergillus niger and Candida albicans) activities. Synthesized complexes were more efficacious in terms of biological activities as compared to parent ligands Further synthesized compounds were evaluated for their in vitro cytotoxic activity against lung cancer cell line A549 using MTT method. IC50 value for all four complexes was determined and all of them are found active. Computational studies of the representative complexes have been done using B3LYP/631‐G* basis sets to provide optimized geometry.