bluuebunny/crossref_metadata_2025 huggingface dataset:
Theoretical investigation of the effect of different π‐spacers on the performance of dye‐sensitized solar cells based on quinoline
Authors: Dung Tran Ngoc , Tuan Vu Chi , Van Trang Nguyen , Phuong Nguyen Minh , Hoan Pham Tho , Hue Nguyen Thi Minh
Published: March 2024

Herein we report a heterocyclic organic system to be used in dye‐sensitized solar cells. We propose 9 D‐π‐A compounds in with N,N‐diphenyl quinoline‐6‐amine as the electron donor, cyanoacrylic acid as the electron acceptor, and various conjugate systems of thiophene is used as a π‐spacers. The studied substance systems are calculated by density functional theory (DFT) method with 6‐311G(d) basis set. This study focuses on examining the effect of the π bridge on the properties of the molecule. The structural parameters of the molecular geometry were optimized, the HOMO and LUMO energies were calculated and analyzed in detail. In addition, the absorption wavelength, excitation energy, vibration intensity and electron transfer were calculated through the time‐dependent density functional theory (TD‐DFT) method. The result shows that replacing thiophene ring by 3,4‐ethylenedioxythiophene (EDOT) significantly improved the properties of dye. Compounds B12 and B23 have not only small HOMO‐LUMO gap but also good charge transfer (small reorganization energies) and optical properties (high LHE).
Triterpenoids, steroid, and aromatic compounds from Combretum indicum leaves
Authors: Thu Nguyen Thi Hoai , Hoa Pham Thi Hong , Dat Nguyen Thanh , Tuyen Pham Nguyen Kim
Published: March 2024

Combretum indicum belonging to the Combretaceae family possessed many bioactivities such as pain relief, antipyretic, antimicrobial, antioxidant, anticancer, etc. However, there had not much chemically studied on this species, especially, in Viet Nam. Herein, eight compounds consisting of asiatic acid (1), arjunolic acid (2), oleanolic acid (3), benzyl‐β‐D‐xylopyranosyl‐(1′′ → 6′)‐β‐D‐glucopyranoside (4), nudifloric acid (5), vanillin (6), gallic acid (7), and β‐sitosterol (8) were reported from the Combretum indicum leaves collected at Ho Chi Minh City, Viet Nam. Their chemical structures were elucidated by the MS and NMR spectroscopic analysis as well as the comparison of their NMR data with the published data. Compounds 1, 3, 4, 5, and 6 were notified for the first time from Combretum indicum.
Effect of drying method on the anticancer activity and metabolite profile of Mango (Mangifera indica) leaf extracts as revealed using LC‐MS/MS metabolomics
Authors: Quizon Cesar , Alvarez Michael Russelle , Moreno Patrick , Delica Kimberly , Basingan Manolo , Deniega Froila , Abogado Rowell , Padolina Isagani , Heralde Francisco , Completo Gladys Cherisse , Nacario Ruel
Published: March 2024

Mangifera indica is a widely‐distributed crop with known pharmacological properties. Knowing that sample preparation techniques could affect the chemical composition of natural products, we studied the effect of three common sample preparation methods ‐ airdrying, oven‐drying, and grinding in liquid‐nitrogen– on the compositions and bioactivities of n‐hexane, ethyl‐acetate, and methanol extracts of M. indica. By leveraging the Feature‐Based Molecular Networking (FBMN) of GNPS coupled with feature‐detection of MS‐DIAL, as well as simple orthogonal analyses using TLC and PLS‐DA, we were able to show the variation of several compound superclasses as affected by sample preparation. In general, the addition of thermal energy or long exposure to ambient conditions, significantly reduced the amount of heat‐ and environment‐sensitive compounds such as polyketides and phenylpropanoids, and organoheterocyclic compounds in the ethyl‐acetate and methanol extracts. By utilizing FBMN, we were also able identify structurally‐related compounds in the n‐hexane, ethyl‐acetate, and methanol extracts, providing insights into the chemodiversity of these extracts. In terms of bioactivity, we found that the oven‐ and air‐dried samples exhibited the best percent cytotoxicity against lung cancer cells (A549). This is the first report that utilized FBMN to analyze the effects of sample preparation on a plant extract's metabolomic and bioactivity profiles.
Epoxidation of soybean oil by using Na2WO4/H2O2/H3PO4 based catalyst
Authors: Thuy Nguyen Thi , Liem Nguyen Thanh , Duc Vu Minh
Published: March 2024

This paper presents epoxidation using a Na2WO4/H2O2/H3PO4‐based complex catalyst, which is formed from in aqueous phase in situ during the process. The success of the epoxidation was demonstrated by the FTIR investigation results. A variety of factors such as reaction conditions, reactant and composition of catalyst system that influence the epoxidation reaction was examined through the oxirane content, yield, conversion, and catalyst selectivity. In which, the rate of addition of reactants as well as the catalytic complex is one of the influencing factors studied. The optimal ratio of the reactants as well as of the components of the catalyst system was found. The reaction was caried out at 60°C for one hour. The results show that 91 % of the double bonds were broken and 87.7 % of the double bonds were converted to epoxide groups, so the epoxidized oil has 6.7 % oxirane content and the catalytic selectivity reached 96.3 %.
Comparative study of adsorption of cationic dyes on novel surface functionalized mesoporous titanate‐based materials
Authors: Minh Tri Nguyen Le , Thoa Dao Thi , Tri Nguyen Huu , Viet Nguyen Minh , Ha Tran Thi Viet , Khoa Nguyen Cuu
Published: March 2024

Organic dyes have caused many negative effects on the aqueous environment and human health. Therefore, removal of organic dyes from water is a great challenge of seeking an effective methodology. Titanate‐based materials have been received much attraction and recognized as effective adsorbents for wastewater treatment. This study represented the feasibility of novel carbonaceous mesoporous titanate‐based materials (Na2Ti3O7/Na3Ti6O13) successfully synthesized via a EDTA‐Na2 assisted method to be used as adsorbents for removal of cationic dyes (methylene blue‐MB, and crystal violet‐CV). The samples synthesized with different molar ratios of EDTA‐Na2 (0.5, 1.0, 1.5 vs TiO2) were characterized by different analysis methods (SEM‐EDX, FT‐IR, XRD, BET and UV‐Vis). They were also tested for the treatment of both two dyes. Results showed that the sample with 1.0 EDTA‐Na2:1.0 TiO2 (MT1.0:1.0) had the highest and comparable removal efficiency for MB and CV among the as‐synthesized samples. The adsorption of both two dyes on MT1.0:1.0 followed the Langmuir isotherm with maximum adsorption capacities of 27.5 and 3.9 mg.g‐1 for MB and CV, respectively. It can also be found that the pseudo‐second‐order model showed the best fit with R2 values of 0.99 and 0.98 for MB and CV, respectively.
Chemical vapor deposition growth of tin oxide nanowires for electrochemical sensor development
Authors: Hai Nguyen Hoang , Nguyen Minh Hieu , Tuan Mai Anh
Published: March 2024

This paper reports a growth of tin oxide nanowires on gold patterns by chemical vapor deposition. A 90 nm gold layer was deposited on a silicon wafer using a sputtering system and pre‐pattern by lift‐off techniques. Tin oxide nanowires were selectively grown on the gold pattern by chemical vapor deposition technique with 750°C and 5 × 10‐2 torr. High resolution transmission electron microscopy measurements showed that nanowire possessed a single crystal nature with tetragonal crystal system and the calculated lattice constants (a = 0.474 nm; c = 0.318 nm) were closed to those of standard pattern of SnO2. The ready SnO2 nanowire grown on the gold patterns were investigated for electrochemical sensor development.
Investigation of ZINC85862539_679 to inhibit SARS‐CoV‐2 main protease: DFT calculation and molecular docking
Authors: Trung Truong Tan , Nguyen Tan Khanh , Dong Nguyen Phuong , Thuy Le Thi Thu , Van Du Cao , Tran Linh
Published: March 2024

In this study, the molecular geometry structure of ZINC85862539_679 compound was performed by density functional theory (DFT) calculation at B3LYP level 6‐311++G(d,p) basis set. The energies gap of HOMO‐LUMO (highest occupied molecular orbital, HOMO and lowest unoccupied molecular orbital, LUMO) of ZINC85862539_679, and chemical reactivity descriptors were also investigated. The molecular electrostatic potential (MEP) has also been carried out using the DFT method. Additionally, the inhibition of ZINC85862539_679 on the main protease (Mpro) of SARS‐CoV‐2 was investigated using molecular docking approach. Our results indicated that nine hydrogen bonds (Cys145, Thr26, Thr25, Thr45, Thr24, Ser46, Tyr54, Arg188, Met165) and one Pi‐Alkyl interaction at Leu27, and one Pi‐Sulfur interaction at Cys145 between this compound with SARS‐CoV‐2 Mpro. The docking score of ZINC85862539_679 (‐14.3 kcal/mol) is better than the one of remdesivir (‐8.1 kcal/mol). Therefore, ZINC85862539_679 can be considered as a potential inhibitor of SARS‐CoV‐2 Mpro, which needs to be explored further for future drug development.
Prediction of ADME/Tox properties, 2D,3D QSAR and molecular docking approach of 2,3‐disubstituted‐Quinazolin‐4(3H)‐ones using X‐ray crystal structure of Staphylococcus aureus (1T2W) Sortase A
Authors: Amrutkar Rakesh Devidas , Ranawat Mahendra Sing
Published: March 2024

New chemical entities of quinazolinone derivatives were used to design as antibacterial agents through selective inhibitors of X‐ray crystal structure of Staphylococcus aureus (1T2W) sortase A by the molecular docking using V‐Life Sciences MDS version 4.6, software. It is successfully reproduced the binding approach of the crystal structure of the Staphylococcus aureus antagonists. The docking results suggested that the modification in the series that gives better binding potential, hydrophobic Van der Waals, H‐bond and charge interactions are responsible for forming the stable compounds of the ligands with receptor. It has been observed that the ligands numbers 4k, 4l, and 4m possess a minimum docking score i.e. minimum binding energy in kilocalorie per mole i.e. these molecules have more affinity for active site of receptor. 2D and 3D QSAR analyses were carried out on quinazoline‐4‐one derivatives for their antimicrobial activities on S. aureus. The activity of the molecules was transformed into log 1/C. The statistically significant of 2DQSAR and 3D QSAR models are r2 = 0.8066 and q2 = 0.6789 and internal (q2 = 0.7157) and external (predictive r2 = 0.4634), respectively. This study revealed that the major contributing descriptors of 2D QSAR studies are DeltaEpsilonB and DeltaPsiA and 3D QSAR model proves the steric as well as electrostatic effects determine the binding affinity for the drug development. The results of the current computational studies are useful for further designing novel chemical entities of anti‐microbial agent.
Research on mechanical properties and fire retardancy of epoxy composites reinforced by fly ash of thermal power plant
Authors: Nguyen Tuan Anh , Nguyen Xuan Huy , Van Ngo Thuy
Published: March 2024

Flame retardants (FRs) play an important role as additives which is applied in a wide range of products because they can inhibit ignition to delay the spread of fire. By adding fly ash (a waste of thermal power plants), we have developed an epoxy resin material with good flame retardant properties. Besides, using the fly ash can reduce the consumption of current flame retardants (organic halogen compounds) and thus meet the environmental safety of flame retardant epoxy resin. For this reason, studies on enhancing the flame retardancy of epoxy resin using fly ash as an eco‐friendly additive have paid more attention. Adding fly ash flame retardant additives to epoxy resin can improve the oxidation resistance of target materials. In this study, fly ash was modified with Ca(OH)2 to improve its flame retardant ability and compatibility with epoxy resin. The results show that the samples get higher flame retardant when using 30 wt.%, 40 wt.% and 50 wt.% fly ash. Flame retardant is assessed by the determination of the limiting oxygen index (LOI) and the burning rate test according to the UL94 method. The results show that at the mixing ratio of 40% fly ash, the LOI index is 24.4% and the burning rate according to the UL 94HB method is 19.56 mm/min. When increasing the fly ash content from 30 to 50 wt%, the flame retardant ability increases while the tensile strength, flexural strength and Izod impact strength decrease. For the compressive strength, it increases and maintains at a specified level. The results of this study suggest that fly ash would be a capable candidate for petroleum‐based flame retardant additives.
Chemo‐trapping method for determination of volatile arsenic from paddy soil
Authors: Long Le Thanh , Mai Le Thi Huynh , Nhi Dang My , Van Dong Nguyen , Phat Nguyen Huu
Published: March 2024

The objective of this study was to develop a technique for collecting and analyzing volatile arsenic species including arsine (AsH3), methyl arsine (CH3AsH2), dimethyl arsine (CH3)2AsH, and trimethyl arsine (CH3)3As emitted from paddy soil. The four volatile arsenic species were captured on AgNO3‐impregnated sand then eluted and quantified. The AgNO3‐impregnated sand was synthesized by crystallizing AgNO3 on 0.5‐1 mm id. sandy particles at 70 oC. The volatile arsenic species were generated by hydride a mixture containing sodium arsenous (NaAsO2), disodium methyl arsenate ((CH3AsO(ONa)2), sodium cacodylate ((CH3)2AsO(ONa)), and trimethyl arsine oxide ((CH3)3AsO) using NaBH4. The formed volatile arsenic species were purged with an Ar stream then retained on a trap packed with the AgNO3‐impregnated sand followed by elution with 2 mL of 2.5% nitric acid and 0.5 mL of 30% H2O2 at 70oC prior to total analysis by ICPMS and speciation analysis by ion exchange chromatography ‐ ICPMS. The total analysis of arsenic revealed that AgNO3‐impregnated sand can efficiently retain the four volatile arsenic with 91‐102% recovery within a range of 20‐2000 ngAs as total amounts. The detection limit for total arsenic species through the trap was 6.5 ngAs. For a trap packed with 300 mg of AgNO3‐impregnated sand, the capture capacity was greater than 2000 ngAs. The speciation of arsenic eluted from the trap was performed by separation on a Hamilton PRP‐X100 anion‐exchange column with gradient elution using 100 mM (NH4)2CO3 mobile phase followed by ICPMS detection. A pot experiment was conducted to evaluate the efficiency of the purge and trapping method for naturally formed volatile arsenic species emitted from flooded paddy soil. Preliminary results showed that methyl arsenic, trimethyl arsenic and arsine were emitted from the studied paddy soil in which arsine contributes 90% of arsenic emission. This method is showing promise to be applied for the emission of volatile arsenic analysis from paddy soil as well as other solid types of samples.
Studying the use of thermomechanical treated sugarcane bagasse as partial replacement of quartz and feldspar in ceramic tiles production
Authors: Phuong Nguyen Thi Thu , Huong Pham Thi Mai , Hai Tran Quang , Van Hoan Nguyen , Thoa Nguyen Thi , Ha Nguyen Manh , Ha Dao Thu , Thuan Tran Dang
Published: March 2024

Sugarcane bagasse ash (SCBA) is an industrial waste that consists of silicon oxides, calcium, aluminum, iron, magnesium, and alkali metal oxides. The composition and structure of thermomechanical treated SCBA was analyzed by X‐ray fluorescence (XRF), Scanning Electron Microscopy (SEM) and X‐Ray diffraction (XRD). Thermomechanical treated SCBA was mixed with clay, quartz and feldspar at different compositions according to an appropriate mixing ratio and using this mixture for the production of dry pressed ceramic tiles. The physic mechanical properties (surface quality, water absorption, modulus of rupture, linear thermal expansion and frost resistance) of the ceramic tiles were test according to ISO 13006:2018 and ISO 10545 standards. The results demonstrated that test ceramic have characteristics adequate for its use as ceramic tiles classified as BIII.
Green approach to semisynthesis of apigenin from naringin isolated from very immature pomelo peels
Authors: Hung Nguyen Khanh , Thanh Nguyen Tuan , Luyen Nguyen Thi Thuy , Du Nguyen Huy
Published: March 2024

The flavanone glycoside naringin, which is abundant in the very immature pomelo peel cultivated in Vietnam, has been demonstrated to have potential use in semisynthesis into other flavonoid compounds, especially apigenin, which exhibits several biological properties and has a greater commercial value. In this study, we carried out an oxidation reaction on flavanone backbone to semisynthesize apigenin with I2 catalyst in some environmentally friendly solvents such as a replacement for the reaction in the pyridine solvent, which is thought to be a non‐green solvent. These solvents which were employed in this investigation included water, DMSO, ethyl acetate, ethanol, ethylene glycol, and vegetable oil. The degree of conversion and the purity of the isolated product were evaluated using the RP‐HPLC‐DAD method, the yield was calculated according to the mass of the obtained crystals, and the synthetic compounds were confirmed by NMR spectra. The results showed that the solvents of DMSO, DMSO:H2O gave the total yield of 93% and the purity of apigenin greater than 95% as compared to 74% and 93%, respectively, with the reaction in pyridine. Our findings revealed that using 10% mol of I2 catalyst was more cost‐effective than conducting the reaction in pyridine, which required an equivalency of substrate and catalyst of 1:1. The solubility of naringin in the solvent combination should be taken into account, though, since this might result in a low yield and influence the degree of conversion.
A new sesquiterpene and lignans from the roots of Kadsura induta
Authors: Hien Truong Thi Thu , Trang Do Thi , Thao Tran Thi Phuong , Minh Ho Ba Ngoc , Hung Nguyen Ba , Thang Hoang Dac , Tram Le Huyen , Tai Bui Huu , Ha Tran Thi Thu , Van Kiem Phan
Published: March 2024

One new sesquiterpene, (4S,7R,10S)‐2‐oxo‐4,10,11‐trihydroxyguaia‐1(5)‐ene (1), and five lignans, kadsuralignan J (2), isovaleroylbinankadsurin A (3), schizandrin O (4), futokakadsurin C (5), and arisantetralone (6) were isolated from the roots of Kadsura induta. Their chemical structures were revealed by MS, 1D and 2D NMR spectra in comparison with the reported data. The absolute configuration of compound 1 was determined by calculation of its theoretical ECD spectra and compared with the experimental results.
Snapping Science in the Field
Authors: Kainz Sabrina , Halling Andrea
Published: March 2024

Snapchat, the multimedia messaging app, offers a range of features that make it an unexpectedly useful tool for geoscientists on the go.
Calculation of shift current tensors in two-dimensional transition metal dichalcogenides
Authors: Vo Chau Duc Phuong , Huynh Thanh Duc
Published: March 2024

We investigate the shift current induced by optical excitation in two-dimensional transition metal dichalcogenides. Our approach is based on a second-order perturbation expansion of the semiconductor Bloch equations which are formulated in the basis of a three-band tight-binding model. From that, shift current tensors have been calculated for several different materials and their dependence on photon energy has been investigated and discussed.
Digital twin modeling and intelligent optimization for rail operation safety assessment
Authors: Wang Ling , Chen Xiang , Ding Feng
Published: March 2024

Currently, the use of fixed empirical parameters combined with traditional algorithms to construct train parameter prediction models for estimating train energy consumption is often used. However, due to changes in train related parameters, there is a significant error between the estimated results of this method and the actual values, which cannot reflect the true state of train operation. It affects the subsequent maintenance and repair of trains, thereby affecting the safety of the entire subway operation system. To address the above issues, a train traction power flow model based on digital twin technology is proposed. The swarm intelligence optimization algorithm is not used to correct model parameters. By correcting the deviation of train passenger load, accurate prediction of train energy consumption can be achieved. The experimental results show that the power flow model constructed by the research institute can reduce the power error of single interval trains by over 11.91%. The average DC voltage error of the train power flow model after parameter correction is 0.19%. The average DC current error is 12.07%. The root mean square error range of passenger capacity for similar day neural network models is [0.0521,0.0811]. The experimental results indicate that the model constructed by the research institute can accurately predict train energy consumption and ensure the safety of the subway operation system.
Authoritarian Party Consolidation
Authors: Collord Michaela
Published: March 2024

This chapter sets out how authoritarian leaders’ strategic decision-making during an early period of regime consolidation, identified as a critical juncture, influences what ‘type’ of ruling party is likely to emerge. Where leaders pursue more direct state and party control over wealth accumulation and where they simultaneously invest in party-building, then the ruling party is more likely to approximate a centrally disciplined ‘institutionalized coalition’. Conversely, where leaders allow for a class of private accumulators to expand and where they forego serious party-building efforts, then the ruling party is more likely to approximate an internally fractious and institutionally weak ‘bargained coalition’. Given this theoretical focus, the empirical analysis centres on the initial period when TANU first consolidated power in Tanzania, forming an ‘institutionalized coalition’, and when the NRM took power in Uganda, forming a ‘bargained coalition’. It also incorporates details from Kenya and Rwanda to offer additional causal leverage. For each case, it first traces the decision-making process that resulted in leaders choosing one strategy of ‘politicized accumulation’ over another and then does the same for leaders’ choice of party-building strategy.
What matters most to people with metastatic uveal melanoma? A qualitative study to inform future measurement of health-related quality of life
Authors: Ng Carrie-Anne , Luckett Tim , Mulhern Brendan , Kee Damien , Lai-Kwon Julia , Joshua Anthony M.
Published: March 2024

Background

Metastatic uveal melanoma (mUM) is a rare cancer with poor prognosis, but novel treatments are emerging. Currently, there are no mUM-specific health-related quality of life (HRQL) questionnaires available for clinical research. We aimed to explore how mUM and its treatment affect HRQL and assess the content validity of existing questionnaires.

Methods

Participants were patients with mUM and healthcare professionals involved in their care. Qualitative data were collected using semi-structured interviews and focus groups. Data collection and analysis used an integrative approach involving inductive questions/coding to elicit new concepts and deductive questions/coding based on domains of existing HRQL questionnaires. Initial interviews/focus groups focussed on HRQL questionnaires designed for patients with uveal melanoma or liver metastases. As new concepts were elicited, domains and items from other questionnaires were subsequently added.

Results

Seventeen patients and 16 clinicians participated. HRQL concerns assessed by uveal melanoma-specific questionnaires were largely resolved by the time of metastasis. The Functional Assessment of Cancer Therapy - Immunotherapy Module (FACT-ICM) adequately captured most immunotherapy-related side effects during initial treatment cycles. However, most patients emphasised emotional impacts over physical ones, focussing on the existential threat posed by disease amidst uncertainty about treatment accessibility and effectiveness. Patients were also concerned with treatment burden, including time commitment, travel, need for hospitalisation, and expenses. The relative importance of HRQL issues varied over time and across treatment modalities, with no single questionnaire being sufficient.

Conclusion

Pending further development and psychometric testing, clinical researchers may need to take a modular approach to measuring the HRQL impacts of mUM.
Exploring Sign Language Detection on Smartphones: A Systematic Review of Machine and Deep Learning Approaches
Authors: Alam Iftikhar , Hameed Abdul , Ziar Riaz Ahmad
Published: March 2024

In this modern era of technology, most of the accessibility issues are handled with the help of smart devices and cutting-edge gadgets. Smartphones play a crucial role in addressing various accessibility challenges, including voice recognition, sign language detection and interpretation, navigation systems, speech-to-text conversion, and vice versa, among others. They are computationally powerful enough to handle and run numerous machine and deep learning applications. Among various accessibility challenges, speech disorders represent a disability where individuals struggle to communicate verbally. Similarly, hearing loss is a disability that impairs an individual’s ability to hear, necessitating reliance on gestures for communication. A significant challenge encountered by people with speech disorders, hearing loss, or both is their inability to effectively convey or receive messages from others. Hence, these individuals heavily depend on the sign language (a gesture-based communication) method, typically involving hand movements and expressions. To the best of our knowledge, there are currently no comprehensive review and/or survey articles available that cover the literature on speech disabilities and sign language detection and interpretation via smartphones utilizing machine learning and/or deep learning approaches. This study fills the gap in the literature by analyzing research publications on speech disabilities, published from 2012 to July 2023. A rigorous search and standard strategy for formulating the literature along with a well-defined theoretical framework for results and findings have been used. The paper has implications for practitioners and researchers working in accessibilities in general and smart/intelligent gadgets and applications for speech-disabled people in specific.
Correlations between Steady-State Pattern Electroretinogram and Humphrey Visual Field Analyzer Global Indices and Their Associations with Retinal Ganglion Cell Layer-Inner Plexiform Layer Thickness in Glaucoma Suspects
Authors: Tirsi Andrew , Gliagias Vasiliki , Zhu Daniel , Wong Benny , Gupta Rohun , Park Sung Chul , Obstbaum Stephen , Tello Celso
Published: March 2024

Purpose. The purpose of this study was to investigate the utility of steady state pattern electroretinogram (ss-PERG) in detecting retinal ganglion cell (RGC) dysfunction in glaucoma suspects (GS) who had normal 24-2 Humphrey Visual Fields (HFA). Materials and Methods. This was a prospective cohort study of GS patients who were identified based on optic disc appearance with normal HFAs. Patients received a complete eye examination, standard automated perimetry (SAP), optical coherence tomography (OCT), and ss-PERG measurements. The ss-PERG parameters, Magnitude (Mag), Magnitude D (MagD), and MagD/Mag ratio, were examined, along with their relationships between HFA and OCT measurements. Results. Twenty-five patients were included in this study, with a total of 49 eyes. Fifteen eyes had abnormal ss-PERG parameters and when compared to GS eyes with normal ss-PERG parameters, there were significant differences in HFA 24-2, retinal nerve fiber layer (RNFL) thickness, and ganglion cell layer and inner plexiform layer (GCL + IPL) thickness. All ss-PERG parameters were significantly correlated with 24-2 VF mean deviation (MD) and visual field index (VFI), as well as 10-2 VF MD after controlling for age, sex, intraocular pressure, central corneal thickness, and spherical equivalent. When controlled for age, spherical equivalent, and IOP, MagD/Mag ratio significantly contributed to the variance in average GCL + IPL thicknesses, whereas 24-2 VF MD and 10-2 VF MD did not. MagD/Mag ratio also significantly accounted for variance in all macular GCL + IPL sectors, while 10-2 VF MD did not. Conclusions. ss-PERG has significant correlations with HFA global indices and was predictive of GCL + IPL thickness in GS patients. Clinical Significance. ss-PERG may serve as a useful functional tool for detecting and measuring RGC dysfunction in GS. It appears to be more sensitive than HFA in the detection of early changes in GCL + IPL thicknesses and may be helpful to use in conjunction with current diagnostic studies to improve the ability of monitoring GS progression.
Data from Integrative Microarray Analysis of Pathways Dysregulated in Metastatic Prostate Cancer
Authors: Setlur Sunita R. , Royce Thomas E. , Sboner Andrea , Mosquera Juan-Miguel , Demichelis Francesca , Hofer Matthias D. , Mertz Kirsten D. , Gerstein Mark , Rubin Mark A.
Published: March 2024

Abstract
Microarrays have been used to identify genes involved in cancer progression. We have now developed an algorithm that identifies dysregulated pathways from multiple expression array data sets without a priori definition of gene expression thresholds. Integrative microarray analysis of pathways (IMAP) was done using existing expression array data from localized and metastatic prostate cancer. Comparison of metastatic cancer and localized disease in multiple expression array profiling studies using the IMAP approach yielded a list of about 100 pathways that were significantly dysregulated (P < 0.05) in prostate cancer metastasis. The pathway that showed the most significant dysregulation, HIV-I NEF, was validated at both the transcript level and the protein level by quantitative PCR and immunohistochemical analysis, respectively. Validation by unsupervised analysis on an independent data set using the gene expression signature from the HIV-I NEF pathway verified the accuracy of our method. Our results indicate that this pathway is especially dysregulated in hormone-refractory prostate cancer. [Cancer Res 2007;67(21):10296–303]
Data from R-Cadherin Expression Inhibits Myogenesis and Induces Myoblast Transformation via Rac1 GTPase
Authors: Kucharczak Jérôme , Charrasse Sophie , Comunale Franck , Zappulla Jacques , Robert Bruno , Teulon-Navarro Isabelle , Pèlegrin André , Gauthier-Rouvière Cécile
Published: March 2024

Abstract
Cadherins are transmembrane glycoproteins that mediate Ca2+-dependent homophilic cell-cell adhesion and play a crucial role in proliferation, differentiation, and cell transformation. The goal of this study was to understand why R-cadherin is found in rhabdomyosarcomas (RMS), tumors of skeletal muscle origin, whereas it is absent in normal myoblasts. We show that R-cadherin expression in C2C12 myoblasts causes inhibition of myogenesis induction and impairment of cell cycle exit when cells are cultured in differentiation medium. Furthermore, R-cadherin expression elicits myoblast transformation, as shown by anchorage-independent growth in soft agar in vivo tumor formation assays and increased cell motility. In contrast, inhibition of R-cadherin expression using RNA interference hinders growth of RD cell line in soft agar and its tumorigenicity in mice. The analysis of the nature of R-cadherin–mediated signals shows that R-cadherin–dependent adhesion increases Rac1 activity. Dominant-negative forms of Rac1 inhibit R-cadherin–mediated signaling and transformation. In addition, expression of R-cadherin results in perturbed function of endogenous N-cadherin and M-cadherin. Together, these data suggest that R-cadherin expression inhibits myogenesis and induces myoblast transformation through Rac1 activation. Therefore, the properties of R-cadherin make it an attractive target for therapeutic intervention in RMS. [Cancer Res 2008;68(16):6559–68]
Data from Suppression of Proximal T Cell Receptor Signaling and Lytic Function in CD8+ Tumor-Infiltrating T Cells
Authors: Monu Ngozi , Frey Alan B.
Published: March 2024

Abstract
CD8+ tumor-infiltrating lymphocytes (TIL) lack in vivo and in vitro lytic function due to a signaling deficit characterized by failure to flux calcium or activate tyrosine kinase activity upon contact with cognate tumor cells. Although CD3ζ is phosphorylated by conjugation in vitro with cognate tumor cells, showing that TIL are triggered, PLCγ-1, LAT, and ZAP70 are not activated and LFA-1 is not affinity-matured, and because p56lck is required for LFA-1 activation, this implies that the signaling blockade is very proximal. Here, we show that TIL signaling defects are transient, being reversed upon purification and brief culture in vitro, implying a fast-acting “switch”. Biochemical analysis of purified nonlytic TIL shows that contact with tumor cells causes transient activation of p56lck (∼10 s) which is rapidly inactivated. In contrast, tumor-induced activation of p56lck in lytic TIL is sustained coincident with downstream TCR signaling and lytic function. Shp-1 is robustly active in nonlytic TIL compared with lytic TIL, colocalizes with p56lck in nonlytic TIL, and inhibition of Shp-1 activity in lytic TIL in vitro blocks tumor-induced defective TIL cytolysis. Collectively, our data support the notion that contact of nonlytic TIL with tumor cells, and not with tumor-infiltrating myeloid-derived suppressor cells, causes activation of Shp-1 that rapidly dephosphorylates the p56lck activation motif (Y394), thus inhibiting effector phase functions. [Cancer Res 2007;67(23):11447–54]
Data from Cancer Cell Death Enhances the Penetration and Efficacy of Oncolytic Herpes Simplex Virus in Tumors
Authors: Nagano Satoshi , Perentes Jean Yannis , Jain Rakesh K. , Boucher Yves
Published: March 2024

Abstract
The success of tumor oncolytic virotherapy is limited by the poor penetration of virus in tumors. Interstitial collagen fibers and the narrow spacing between cancer cells are major barriers hindering the movement of large viral particles. To bypass the cellular barrier, we tested the hypothesis that the void space produced by cancer cell apoptosis enhances the initial spread and efficacy of oncolytic herpes simplex virus (HSV). In mice with mammary tumors, apoptosis was induced by doxycycline-regulated expression/activation of CD8/caspase-8, paclitaxel, or paclitaxel plus tumor necrosis factor–related apoptosis-inducing ligand (TRAIL). In both collagen-poor and collagen-rich tumors, apoptosis or necrosis increased the initial intratumoral spread of HSV. Compared with the isolated pattern of HSV infection generally located in the center of control tumors, apoptosis induction and a single i.t. injection of virus produced an interconnected and diffuse pattern of infection, which extended from the tumor center to the periphery. This interconnected pattern of viral infection correlated with the formation of void spaces and channel-like structures in apoptosis-rich tumor areas. We also show that the i.t. injection of HSV after caspase-8 activation or paclitaxel-TRAIL pretreatment retards tumor growth, whereas HSV administration before tumor cell death induction did not improve therapeutic efficacy. Hence, our findings show that the induction of cancer cell death before the injection of oncolytic HSV enhances intratumoral virus delivery/penetration and antitumor efficacy. [Cancer Res 2008;68(10):3795–802]
Data from The Original Pathologische Anatomie Leiden-Endothelium Monoclonal Antibody Recognizes a Vascular Endothelial Growth Factor–Binding Site within Neuropilin-1
Authors: Jaalouk Diana E. , Ozawa Michael G. , Sun Jessica , Lahdenranta Johanna , Schlingemann Reinier O. , Pasqualini Renata , Arap Wadih
Published: March 2024

Abstract
For two decades, the antigen recognized by the Pathologische Anatomie Leiden-Endothelium (PAL-E) monoclonal antibody, a standard vascular endothelial cell marker, has remained elusive. Here, we used a combinatorial phage display–based approach (“epitope mapping”) to select peptides binding to the original PAL-E antibody. We found that a subset of the selected panel of peptides had motifs with strong homology to an exposed site within the b1 domain of human neuropilin-1 (NRP-1). We confirmed peptide binding by ELISA and by surface plasmon resonance. We also showed that the PAL-E antigen colocalizes with NRP-1 staining in endothelial cells. Crystal structure of the b1 domain in NRP-1 suggests that the PAL-E binding site overlaps with a vascular endothelial growth factor (VEGF) binding site. Taken together, these results indicate that NRP-1 is an endothelial cell antigen recognized by the true PAL-E antibody. The consistent biochemical, morphologic, and functional features between the PAL-E antigen and NRP-1 support our interpretation. Given that NRP-1 is a VEGF receptor, these results explain the attributes of the PAL-E antibody as a marker of vascular permeability and angiogenesis. [Cancer Res 2007;67(20):9623–9]
Data from Nitric Oxide Inactivates the Retinoblastoma Pathway in Chronic Inflammation
Authors: Ying Lei , Hofseth Anne B. , Browning Darren D. , Nagarkatti Mitzi , Nagarkatti Prakash S. , Hofseth Lorne J.
Published: March 2024

Abstract
Patients with chronic inflammatory bowel disease have a high risk of colon cancer. The molecules that initiate and promote colon cancer and the cancer pathways altered remain undefined. Here, using in vitro models and a mouse model of colitis, we show that nitric oxide (NO) species induce retinoblastoma protein (pRb) hyperphosphorylation and inactivation, resulting in increased proliferation through the pRb-E2F1 pathway. NO-driven pRb hyperphosphorylation occurs through soluble guanylyl cyclase/guanosine 3′,5′-cyclic monophosphate signaling and is dependent on the mitogen-activated protein kinase/extracellular signal-regulated kinase kinase MEK/ERK and phosphatidylinositol 3-kinase/AKT pathways. Our results reveal a link between NO and pRb inactivation and provide insight into molecules that can be targeted in the prevention of the inflammation-to-cancer sequence. [Cancer Res 2007;67(19):9286–93]
Data from Role of the Aggresome Pathway in Cancer: Targeting Histone Deacetylase 6–Dependent Protein Degradation
Authors: Rodriguez-Gonzalez Agustin , Lin Tara , Ikeda Alan K. , Simms-Waldrip Tiffany , Fu Cecilia , Sakamoto Kathleen M.
Published: March 2024

Abstract
Misfolded or aggregated proteins have two fates: they are either refolded with the help of chaperones or degraded by the proteasome. Cells also have an alternative pathway that involves intracellular “storage bins” for misfolded intracellular proteins known as aggresomes. Aggresomes recruit motor proteins that transport misfolded or aggregated proteins to chaperones and proteasomes for subsequent destruction. There is emerging evidence that inhibiting the aggresome pathway leads to accumulation of misfolded proteins and apoptosis in tumor cells through autophagy. We discuss the role of aggresomes in cancer and the potential to target this pathway for therapy. [Cancer Res 2008;68(8):2557–60]
Data from Carcinogen-Altered Genes in Rat Esophagus Positively Modulated to Normal Levels of Expression by Both Black Raspberries and Phenylethyl Isothiocyanate
Authors: Stoner Gary D. , Dombkowski Alan A. , Reen Rashmeet K. , Cukovic Daniela , Salagrama Sridevi , Wang Li-Shu , Lechner John F.
Published: March 2024

Abstract
Our recent study identified 2,261 dysregulated genes in the esophagi of rats that received a 1-week exposure to the carcinogen N-nitrosomethylbenzylamine (NMBA). We further reported that 1,323 of these genes were positively modulated to near-normal levels of expression in NMBA-treated animals that consumed dietary phenylethyl isothiocyanate (PEITC), a constituent of cruciferous vegetables. Herein, we report our results with companion animals that were fed a diet containing 5% freeze-dried black raspberries (BRB) instead of PEITC. We found that 462 of the 2,261 NMBA-dysregulated genes in rat esophagus were restored to near-normal levels of expression by BRB. Further, we have identified 53 NMBA-dysregulated genes that are positively modulated by both PEITC and BRB. These 53 common genes include genes involved in phase I and II metabolism, oxidative damage, and oncogenes and tumor suppressor genes that regulate apoptosis, cell cycling, and angiogenesis. Because both PEITC and BRB maintain near-normal levels of expression of these 53 genes, their dysregulation during the early phase of NMBA-induced esophageal cancer may be especially important in the genesis of the disease. [Cancer Res 2008;68(15):6460–7]
Data from The Smo/Smo Model: Hedgehog-Induced Medulloblastoma with 90% Incidence and Leptomeningeal Spread
Authors: Hatton Beryl A. , Villavicencio Elisabeth H. , Tsuchiya Karen D. , Pritchard Joel I. , Ditzler Sally , Pullar Barbara , Hansen Stacey , Knoblaugh Sue E. , Lee Donghoon , Eberhart Charles G. , Hallahan Andrew R. , Olson James M.
Published: March 2024

Abstract
Toward the goal of generating a mouse medulloblastoma model with increased tumor incidence, we developed a homozygous version of our ND2:SmoA1 model. Medulloblastomas form in 94% of homozygous Smo/Smo mice by 2 months of age. Tumor formation is, thus, predictable by age, before the symptomatic appearance of larger lesions. This high incidence and early onset of tumors is ideal for preclinical studies because mice can be enrolled before symptom onset and with a greater latency period before late-stage disease. Smo/Smo tumors also display leptomeningeal dissemination of neoplastic cells to the brain and spine, which occurs in many human cases. Despite an extended proliferation of granule neuron precursors (GNP) in the postnatal external granular layer (EGL), the internal granular layer formed normally in Smo/Smo mice and tumor formation occurred only in localized foci on the superficial surface of the molecular layer. Thus, tumor formation is not simply the result of over proliferation of GNPs within the EGL. Moreover, Smo/Smo medulloblastomas were transplantable and serially passaged in vivo, demonstrating the aggressiveness of tumor cells and their transformation beyond a hyperplastic state. The Smo/Smo model is the first mouse medulloblastoma model to show leptomeningeal spread. The adherence to human pathology, high incidence, and early onset of tumors thus make Smo/Smo mice an efficient model for preclinical studies. [Cancer Res 2008;68(6):1768–76]
Data from Integrating Global Gene Expression and Radiation Survival Parameters across the 60 Cell Lines of the National Cancer Institute Anticancer Drug Screen
Authors: Amundson Sally A. , Do Khanh T. , Vinikoor Lisa C. , Lee R. Anthony , Koch-Paiz Christine A. , Ahn Jaeyong , Reimers Mark , Chen Yidong , Scudiero Dominic A. , Weinstein John N. , Trent Jeffrey M. , Bittner Michael L. , Meltzer Paul S. , Fornace Albert J.
Published: March 2024

Abstract
The 60 cell lines of the National Cancer Institute Anticancer Drug Screen (NCI-60) constitute the most extensively characterized in vitro cancer cell model. They have been tested for sensitivity to more than 100,000 potential chemotherapy agents and have been profiled extensively at the DNA, RNA, protein, functional, and pharmacologic levels. We have used the NCI-60 cell lines and three additional lines to develop a database of responses of cancer cells to ionizing radiation. We compared clonogenic survival, apoptosis, and gene expression response by microarray. Although several studies have profiled relative basal gene expression in the NCI-60, this is the first comparison of large-scale gene expression changes in response to genotoxic stress. Twenty-two genes were differentially regulated in cells with low survival after 2-Gy γ-rays; 14 genes identified lines more sensitive to 8 Gy. Unlike reported basal gene expression patterns, changes in expression in response to radiation showed little tissue-of-origin effect, except for differentiating the lymphoblastoid cell lines from other cell types. Basal expression patterns, however, discriminated well between radiosensitive and more resistant lines, possibly being more informative than radiation response signatures. The most striking patterns in the radiation data were a set of genes up-regulated preferentially in the p53 wild-type lines and a set of cell cycle regulatory genes down-regulated across the entire NCI-60 panel. The response of those genes to γ-rays seems to be unaffected by the myriad of genetic differences across this diverse cell set; it represents the most penetrant gene expression response to ionizing radiation yet observed. [Cancer Res 2008;68(2):415–24]
Data from p21Waf1/Cip1 Expression by Curcumin in U-87MG Human Glioma Cells: Role of Early Growth Response-1 Expression
Authors: Choi Byeong Hyeok , Kim Chang Gun , Bae Young-Seuk , Lim Yoongho , Lee Young Han , Shin Soon Young
Published: March 2024

Abstract
Curcumin, a natural compound, is a well-known chemopreventive agent with potent anticarcinogenic activity in a wide variety of tumor cells. Curcumin inhibits cancer cell proliferation in part by suppressing cyclin D1 and inducing expression of the cyclin-dependent kinase inhibitor p21Waf1/Cip1. Both p53-dependent and p53-independent mechanisms regulate p21Waf1/Cip1 expression, but the mechanism by which curcumin regulates p21Waf1/Cip1 expression remains unknown. Here, we report that transcription of the p21Waf1/Cip1 gene is activated by early growth response-1 (Egr-1) independently of p53 in response to curcumin treatment in U-87MG human glioblastoma cells. Egr-1 is a transcription factor that helps regulate differentiation, growth, and apoptosis in many cell types. Egr-1 expression is induced by curcumin through extracellular signal-regulated kinase (ERK) and c-Jun NH2-terminal kinase (JNK), but not the p38, mitogen-activated protein kinase (MAPK) pathways, which mediate the transactivation of Elk-1. Transient expression of Egr-1 enhanced curcumin-induced p21Waf1/Cip1 promoter activity, whereas suppression of Egr-1 expression by small interfering RNA abrogated the ability of curcumin to induce p21Waf1/Cip1 promoter activity. In addition, stable knockdown of Egr-1 expression in U-87MG cells suppressed curcumin-induced p21 expression. Our results indicate that ERK and JNK MAPK/Elk-1/Egr-1 signal cascade is required for p53-independent transcriptional activation of p21Waf1/Cip1 in response to curcumin in U-87MG human glioblastoma cells. [Cancer Res 2008;68(5):1369–77]
Data from Rictor and Integrin-Linked Kinase Interact and Regulate Akt Phosphorylation and Cancer Cell Survival
Authors: McDonald Paul C. , Oloumi Arusha , Mills Julia , Dobreva Iveta , Maidan Mykola , Gray Virginia , Wederell Elizabeth D. , Bally Marcel B. , Foster Leonard J. , Dedhar Shoukat
Published: March 2024

Abstract
An unbiased proteomic screen to identify integrin-linked kinase (ILK) interactors revealed rictor as an ILK-binding protein. This finding was interesting because rictor, originally identified as a regulator of cytoskeletal dynamics, is also a component of mammalian target of rapamycin complex 2 (mTORC2), a complex implicated in Akt phosphorylation. These functions overlap with known ILK functions. Coimmunoprecipitation analyses confirmed this interaction, and ILK and rictor colocalized in membrane ruffles and leading edges of cancer cells. Yeast two-hybrid assays showed a direct interaction between the NH2- and COOH-terminal domains of rictor and the ILK kinase domain. Depletion of ILK and rictor in breast and prostate cancer cell lines resulted in inhibition of Akt Ser473 phosphorylation and induction of apoptosis, whereas, in several cell lines, depletion of mTOR increased Akt phosphorylation. Akt and Ser473P-Akt were detected in ILK immunoprecipitates and small interfering RNA–mediated depletion of rictor, but not mTOR, inhibited the amount of Ser473P-Akt in the ILK complex. Expression of the NH2-terminal (1–398 amino acids) rictor domain also resulted in the inhibition of ILK-associated Akt Ser473 phosphorylation. These data show that rictor regulates the ability of ILK to promote Akt phosphorylation and cancer cell survival. [Cancer Res 2008;68(6):1618–24]