jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ufuk Karadavut | Ömer Sözen
Source: Türk Tarım ve Doğa Bilimleri Dergisi (article, 2024-07-24)
Field: Chemistry — Analytical Chemistry

Boyut Azaltılmış Temel Bileşenler ve Lasso Regresyonları Kullanılarak Spektral Veri Tabanlı Bazı Kimyasal Özelliklerin Belirlenmesi Büyüme, gelişme ve farklılaşma canlıların hayatları boyunca sürekli olarak yaşadıkları fizyolojik değişimlerdir. Özellikle bitkilerde bu kendisini farklı şekil ve boyutlarda gösterebilmektedir. Ekolojik faktörler yaşanan fizyolojik değişimleri yönlendirebilmektedir. Bunun içinde ekolojik faktörlerin özellikle belirlenmesi ve etkilerinin incelenmesi gerekmektedir. Faktörlerin ve etkilerinin belirlenebilmesi için çok farklı yöntemler kullanılabilmektedir. Özellikle çok değişkenli istatistiksel yöntemler ile regresyon analizleri bu konuda bizlere yol gösterici olmakta ve çok değerli bilgiler verebilmektedirler. Bu çalışmada baklagil tarımı yapılan topraklardan alınan örneklerin spektral analiz yöntemi ile elde edilen verileri Boyut Azaltılmış Temel Bileşenler ve Lasso Regresyonları Kullanılarak özelliklerinin belirlenmesi amaçlanmıştır. Kırşehir ilinde yürütülen bu çalışmada kil miktarı, organik madde miktarı, pH, fosfor (P), potasyum (K), kalsiyum (Ca) ve magnezyumun (Mg) miktarlarına bakılmıştır. Spektral verileri ise Vis-NIR ve XRF cihazları kullanılarak elde edilmiştir. Elde edilen bu verilerden yararlanılarak verilerin modellenmesi işlemleri gerçekleştirilmiştir. Analizlerin tümü R project programında yapılmıştır. Elbow kuralı, temel hata kareler ortalamasını (RMSE) en aza indirmek için kullanılmıştır. Sonuç olarak spektral analiz sonuçlarının kullanılmasının kişiye bağlılığı azaltabileceği gibi ciddi tasarruf sağlayabilecek nitelikte bulunmuştur. Ancak bu konuda çok daha fazla çalışmanın yapılması ileriye yönelik olarak yapılacak çalışmalarda hata payının azaltılmasına katkı sağlayabilecektir. Mathematics Spectroscopy and Chemometric Analyses ; Geochemistry and Geologic Mapping ; Heavy Metals in Plants
Authors: Sudheer Ganisetti | N. M. Anoop Krishnan | Morten M. Smedskjær
Source: VBN Forskningsportal (Aalborg Universitet) (article, 2024-07-16)
Field: Materials Science — Ceramics and Composites

Developing on-the-fly machine learning force-fields for alkali silicate glasses Alkali metal ; Silicate glass ; Silicate ; On the fly ; Computer science ; Geology ; Mineralogy ; Engineering ; Chemical engineering ; Chemistry Glass properties and applications
Authors: К. Н. Болдырев | Artem A. Glushak | V. V. Pisarev | Grigory Smirnov | Evgeny V. Tararushkin | Polina S. Mikhailova
Source: Radioactive waste (article, 2024-01-01)
Field: Materials Science — Ceramics and Composites

Predicting the behavior of engineered barrier materials based on molecular dynamics simulation This article overviews global and Russian atomistic modelling experience in exploring the properties of clay and cement-based materials for the long-term safety assessment of high-level waste (HLW) repositories. It explains the general concept of molecular dynamics simulation providing some case studies solved based on it. It discusses the accuracy of the calculated parameters and coefficients, as well as their potential incorporation into multiscale models enabling the assessment of the engineered barrier evolution and the HLW repository safety. Molecular dynamics ; Dynamics (music) ; Materials science ; Nanotechnology ; Computer science ; Statistical physics ; Chemistry ; Physics ; Computational chemistry Advanced ceramic materials synthesis
Authors: Vikash Pandey | Dhrubaditya Mitra
Source: arXiv (Cornell University) (preprint, 2024-04-18)
Field: Chemistry — Physical and Theoretical Chemistry

Anomalous diffusion and effective shear modulus in a semi-solid membrane From the perspective of physical properties, the cell membrane is an exotic two-dimensional material that has a dual nature: it exhibits characteristics of fluids, i.e., lipid molecules show lateral diffusion, while also demonstrating properties of solids, evidenced by a non-zero shear modulus. We construct a model for such a $\textit{semi-solid}$ $\textit{membrane}$. Our model is a fluctuating randomly triangulated mesh with two different kinds of nodes. The solid nodes never change their neighbors, while the fluid nodes do. As the area fraction occupied by the solid nodes ($Φ$) is increased the motion of fluid nodes transition from diffusion to localization via subdiffusion. Next, the solid nodes are pinned to mimic the pinning of the plasma membrane to the cytoskeleton. For the pinned membrane, there exists a range of $Φ$ over which the model has both a non-zero shear modulus and a non-zero lateral diffusivity. The bending modulus, measured through the spectrum of height fluctuations remains unchanged. Shear modulus ; Diffusion ; Materials science ; Shear (geology) ; Membrane ; Modulus ; Composite material ; Thermodynamics ; Chemistry ; Physics Electrostatics and Colloid Interactions
Authors: Gautier Vilmart
Source:  (article, 2024-01-01)
Field: Chemistry — Spectroscopy

Using PCA and DNN for fitting raw TDLAS spectra: application to a supersonic flow A novel method is described for fitting raw Tunable Diode Laser Absorption Spectroscopy (TDLAS) spectra leveraging Principal Component Analysis (PCA) in conjunction with Deep Neural Networks (DNN). It showed promising results for weakly absorbing transitions. Principal component analysis ; Artificial neural network ; Spectral line ; Tunable diode laser absorption spectroscopy ; Spectroscopy ; Absorption spectroscopy ; Supersonic speed ; Diode ; Materials science ; Laser ; Tunable laser ; Computer science ; Analytical Chemistry (journal) ; Artificial intelligence ; Optics ; Optoelectronics ; Chemistry ; Physics ; Chromatography Spectroscopy and Laser Applications ; Atmospheric and Environmental Gas Dynamics ; Atmospheric Ozone and Climate
Authors: Alan Ćatović | Faruk Razić
Source: Periodicals of Engineering and Natural Sciences (PEN) (article, 2024-07-12)
Field: Materials Science — Materials Chemistry

Using numerical simulations for estimating the influence of different parameters of long rod kinetic energy penetrators Simulations were performed with long rod kinetic energy penetrators to characterize important parameters used. Hohler & Stilp's experimental results served as the initial validation for the numerical model. Additionally, using numerical simulations, the impact of various (possible) penetrator materials on their penetration depth is illustrated. Additionally, the effects of using a steel jacket (sheath) over the penetrator and the penetrator fineness ratio (L/D) were examined. Research showed that the choice of penetrator material can significantly affect the penetrator's effectiveness. With a penetrator of depleted uranium alloy (0.75% titanium), the maximum penetration depth was attained. It was shown that when increasing the penetrator fineness, the increase in penetrator length has a large influence on penetration depth. Decreasing the penetrator diameter the penetration depth is also decreased. Numerical simulations also showed that to minimize penetration degradation, the penetrator jacket must be relatively thin. Kinetic energy ; Energy (signal processing) ; Environmental science ; Mechanics ; Physics ; Mathematics ; Classical mechanics ; Statistics High-Velocity Impact and Material Behavior ; Laser-Plasma Interactions and Diagnostics ; Electromagnetic Launch and Propulsion Technology
Source: International Journal of Biology Pharmacy and Allied Sciences (article, 2024-09-30)
Field: Chemistry — Inorganic Chemistry

OBESITY ASSOCIATED DEPRESSION: THE POTENTIAL OF COCOS NUCIFERA WATER AS AN ANTIDEPRESSANTS IN OBESE POPULATION The obesity and depression illnesses affect millions of people all over the world.Obesity is the significant root cause of preventable condition globally, and depression is primary root causes of a cluster of disorders.Depression and obesity have economical, genetic, and neurological connections.Coconut water is frequently investigated for its anti-obesity and antidepressants potential in current times.The conventional medication for the treatment of depression primarily uses pharmaceutical medicines and surgical procedures, which results many adverse effects.As a result, the current analysis focuses on the use of coconut water with biological active ingredients and its action as an antidepressant.Utilization of Coconut water is due to its unique biological roles such as preventing cardiac disease, boosting digestive function, regulating cholesterol level, lowering lipid, and preventing malignancy etc.In this review, we discussed the therapeutic benefits of Coconut water, Physiochemical and biochemical compound analysis, and the effective treatment and management of depression and obesity. Obesity ; Depression (economics) ; Medicine ; Internal medicine Coconut Research and Applications ; Fatty Acid Research and Health ; Natural Antidiabetic Agents Studies
Authors: Tong Liu | Changhong Dai | Dongyi Wang | lei zhou
Source: arXiv (Cornell University) (preprint, 2024-06-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

High-efficiency generation of vectorial holograms with metasurfaces Holography plays a crucial role in optics applications, but it traditionally requires complex setup and bulky devices, being unfavourable for optics integration. While metasurface-based holograms are ultra-compact and easy to realize, holographic images generated are mostly restricted to scalar ones, with a few recent attempts on vectorial holograms suffering from complex meta-structures and low efficiencies. Here, we propose and experimentally demonstrate an efficient meta-platform to generate vectorial holograms with arbitrarily designed wave fronts and polarization distributions based on ultra-compact metaatoms. Combining GS algorithm and the wave-decomposition technique, we establish a generic strategy to retrieve the optical property, i.e., the distributions of reflection phase and polarization-conversion capability of the metasurface to generate a target vectorial holographic image. We next design a series of high-efficiency and deep-subwavelength metaatoms exhibiting arbitrarily designed reflection phases and polarization-conversion capabilities, and experimentally characterize their optical properties. Based on these metaatoms, we finally realize a series of meta-holograms that can generate pre-designed vectorial holographic images upon external illuminations, and experimentally characterize their working performances. Our work provides a high-efficiency and ultra-thin platform to generate vectorial holographic images, which can find many applications in onchip photonics. Holography ; Optics ; Computer science ; Materials science ; Physics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Bernardo Zandomenico Dias | Cristina Engel de Alvarez | Arthur Hunold Lara
Source: Design e Tecnologia (article, 2024-07-31)
Field: Materials Science — Materials Chemistry

Ferramenta de auxílio à seleção de compósitos termofixos Algumas pesquisas no campo do Design abordam as propriedades sensoriais dos compósitos termofixos, além de analisá-los qualitativamente sob o prisma da sustentabilidade. Porém, também é necessário que os profissionais possuam informações sobre as propriedades que interferem no produto, tais como densidade, resistência mecânica e custo do compósito, que devem ser considerados em conjunto com dados quantitativos sobre sua sustentabilidade. Já existem algumas ferramentas de simulação e previsão de propriedades para compósitos termofixos, entretanto, caracterizam-se por serem sofisticadas, demandando uma sólida formação na área, além de não serem gratuitas. Uma ferramenta de livre acesso, que estima de forma simples e conforme as necessidades do usuário algumas características do compósito, pode contribuir para difundir e orientar o uso desses materiais. Assim, esta pesquisa objetivou desenvolver uma ferramenta computacional de auxílio a arquitetos, designers e pequenos fabricantes de compósitos que desejem empregar esses materiais em seus projetos e necessitem fazer escolhas a partir de algumas de suas características. Como método, foram pesquisados os softwares e ferramentas computacionais existentes que realizam tarefa semelhante. Em paralelo, baseando-se no público-alvo da ferramenta, foram definidas as propriedades dos compósitos a serem inseridas no processo de escolha, sendo definidos seus métodos de cálculo. Após a estruturação inicial da ferramenta, foram realizadas as simulações de teste, que levaram a aprimoramentos até a versão final. Como resultado, apresenta-se uma ferramenta elaborada a partir do software Microsoft Excel 2019, que possibilita estimar, a partir da matriz e da fibra de reforço selecionada pelo usuário, a densidade, o custo/kg, o percentual de matéria-prima de origem renovável e biodegradável do compósito, a espessura de um laminado feito com ele e o quantitativo de materiais de uma peça feita com esse laminado. O teste final ocorreu a partir de sua aplicação no projeto arquitetônico de um abrigo de ponto de ônibus. A ferramenta funcionou corretamente durante a simulação, sendo possível visualizar os compósitos mais densos e caros, as peças com maior quantidade de matéria-prima com conteúdo renovável, as mais pesadas, as mais baratas, entre outras características. Geology Material Selection and Properties ; Urban Arborization and Environmental Studies ; American Literature and Humor Studies
Authors: Xinyin Xiang
Source: International Conference on Computational & Experimental Engineering and Sciences (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

A Few Key Scientific Advances of MGE Material genes could be understood as the relationship between composition (element, valence state, function group, etc.), structure (lattice, molecular weight, defect, etc.), thermodynamic parameters (temperature, time, pres... | Find, read and cite all the research you need on Tech Science Press Key (lock) ; Computer science ; Computer security Material Selection and Properties ; Chemical and Physical Properties of Materials ; Machine Learning in Materials Science
Authors: Akinlade Florence Adeola | O. P. Sobukola | Adebowale Abdul-Razaq Adesola | Bakare Henry Adegoke | Omidiran Adebukola Tolulope
Source: Sustainable Food Technology (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Response surface methodology for the optimization of process parameters during hot-air frying of chicken sausages incorporated with corn bran Deep-fat frying is still a very popular food processing method among consumers of different age groups despite the negative health implications of consuming too much fat. Bran ; Food science ; Response surface methodology ; Process (computing) ; Chemistry ; Agricultural engineering ; Mathematics ; Process engineering ; Pulp and paper industry ; Computer science ; Engineering ; Chromatography ; Raw material Edible Oils Quality and Analysis
Authors: Holis Abdul Holik | Angela Alysia Elaine | Bernap Dwi Putra Sitinjak | Shofura Marsa Qolbina | Faisal Maulana Ibrahim | Arifudin Achmad | Bambang Sudarmanto | Achmad Hussein Sundawa Kartamihardja
Source: Indonesian Journal of Pharmaceutical Science and Technology (article, 2024-11-06)
Field: Materials Science — Materials Chemistry

Studi In Silico Senyawa 5-BOTP dan ADPB sebagai Senyawa Pembawa Radioteranostik terhadap LAT-1 Kompleksitas patogenesis kanker membuat kanker sulit untuk menemukan target terapi yang tepat, sehingga tingkat keberhasilan obat baru dalam uji klinis rendah. Oleh karena itu, studi pengembangan teknik intervensi yang baru untuk pasien kanker sangat penting. Large-type Amino Acid Transporter 1 (LAT-1) diekspresikan secara berlebihan dalam sel kanker jika dibandingkan dengan sel normal, hal ini menjadikannya salah satu target molekuler khusus untuk terapi kanker. Fungsi LAT-1 adalah memberikan nutrisi pada sel kanker untuk berkembang biak secara masif sehingga penghambatan LAT-1 dapat dijadikan alternatif terapi kanker. Penelitian ini bertujuan untuk mendapatkan senyawa potensial yang akan digunakan untuk radioteranostik dengan dua senyawa inhibitor LAT-1 sebagai senyawa pembawa, yaitu 5-Benzyloxytryptophan (5-BOTP) dan asam (S)-2-amino-4-(3,5-diklorofenil) butanoat (ADPB) yang dikonjugasikan dengan senyawa linker dan berbagai agen pengkelat bifungsional (BFCA) terhadap situs antiporter LAT-1. Metode penelitian terdiri dari mode pengikatan senyawa 5-BOTP dan ADPB terkonjugasi dengan LAT-1, simulasi penambatan molekuler, dan analis pre-ADMET. Hasil penelitian menunjukkan bahwa 5-BOTP-6AHA-H2CB-DO2A dan ADPB-6AHA-H2CB-DO2A memiliki afinitas terbaik dan kompleks pengikatan yang terbaik dengan LAT-1 sehingga keduanya berpotensi sebagai agen radioteranostik kanker dengan menghambat LAT-1.Kata kunci: Kanker, radioteranostik, LAT-1, 5-Benzyloxytryptophan, asam (S)-2-amino-4-(3,5-diklorofenol) butanoat. Chemistry Radiation Shielding Materials Analysis ; Graphite, nuclear technology, radiation studies
Authors: В. И. Корниенко | O. V. Berezovskyi | С. В. Мидык
Source:  (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Methods of determining polyaromatic hydrocarbons in the environment The latest breakthroughs in ecology, chemistry, geography, physics, mathematics, and earth sciences (October 3–4, 2024. Riga, the Republic of Latvia) : International scientific conference. Riga, Latvia : Baltija Publishing, 2024. 84 pages. Computer science ; Environmental science ; Biochemical engineering ; Engineering Chemical Thermodynamics and Molecular Structure ; Analytical Chemistry and Chromatography
Authors: Stephan Freitag | Maximilian Anlanger | Polina Fomina | Antoni Femenias | Miriam Aledda | Boris Mizaikoff | Achim Köhler | Michael Sulyok | Rudolf Krska
Source: ChemRxiv (preprint, 2024-12-17)
Field: Chemistry — Analytical Chemistry

Attenuated Total Reflection Mid-Infrared Spectroscopy to Screen Austrian and French Wheat from Multiple Years for Deoxynivalenol The high-throughput capabilities of attenuated total reflection mid-infrared spectroscopy (ATR-MIRS) make it a promising analytical technique for rapid and green mycotoxin screening. In ATR-MIRS, changes in samples induced by mycotoxigenic fungi are correlated with mycotoxin concentrations obtained through reference analysis, using multivariate statistical methods. Due to its indirect nature, limited research has explored the applicability of this technique for complex sample sets. In this study, we demonstrate that ATR-MIRS can effectively screen for deoxynivalenol (DON) contamination in wheat samples collected across two countries over multiple years. A total of 320 naturally contaminated samples from Austria and France were utilized to develop screening models. Partial least squares discriminant analysis (PLS-DA), combined with various spectral preprocessing strategies and dataset balancing, was explored to classify samples as compliant or non-compliant with the European Commission (EC) limit of 1000 µg/kg DON in unprocessed wheat. Model performance during repeated nested cross-validation exhibited a true positive rate ranging from 0.32 to 1. This variability was primarily influenced by sample splitting, as well as by dataset balancing and spectral preprocessing approaches. These findings underscore the critical importance of sample selection when developing chemometric models for mycotoxin screening. Analysis of variable importance in projection (VIP) scores revealed that PLS-DA predominantly selected wavenumbers associated with dissolved carbohydrates in the MIRS spectra to discriminate between compliant and non-compliant samples. Overall, our results demonstrate the feasibility of using ATR-MIRS to assess DON contamination in complex, multiyear wheat sample sets as exemplified for samples obtained from Austria and France while adhering to regulatory limits. Additionally, this study highlights the potential of ATR-MIRS for investigating the effects of mycotoxigenic fungi on wheat composition during the development of DON screening models. Attenuated total reflection ; Reflection (computer programming) ; Infrared ; Spectroscopy ; Infrared spectroscopy ; Environmental science ; Optics ; Materials science ; Remote sensing ; Geography ; Chemistry ; Physics ; Computer science ; Astronomy Spectroscopy and Chemometric Analyses ; Mycotoxins in Agriculture and Food
Authors: Aswin Domodite | Hilman Sholih | Irfan khoerudin
Source: TEKNOSAINS Jurnal Sains Teknologi dan Informatika (article, 2024-07-16)
Field: Materials Science — Materials Chemistry

Analysis of reject pinhole hardfacing process for stellite alloy metal motorcycle engine valves If businesses wish to compete in the industrial world, they must produce quality and process results. No matter how big or little, some goods will always fail to generate or be rejected in a production process. In this case, companies in the automobile sector have noticed an increase in the number of pinholes that have been returned during the past three months. The company established a maximum reject rate of 0.9% each month based on the rejected data; from May to July, the average reject rate was 0.23%. Finding the factors causing the surge in pinhole rejects that occurred between May and July is the aim of this investigation. The analysis showed that the increase in pinhole rejects was caused by a variety of variables, including machine, process, and human factors. Further examination disclosed alterations to the device's configuration and software, along with the operator's persistent incapacity to comprehend the process. As operations become less efficient, repair components build up in the manufacturing line area. As a result, an improvement plan is needed, which is put into action by giving operator training and rearranging the machine and its software according to process requirements. Operators with a greater understanding of the process yield better results and higher productivity. As a result, operator confidence will rise along with performance. It was discovered that after developments in the field of human resource development, the number of rejections had dropped. Before the repair was finished, the average reject from May to July 2023 was 0.23%; following the repair, the average reject from August to October 2023 was 0.09% Stellite ; Hardfacing ; Metallurgy ; Alloy ; Materials science ; Pinhole (optics) ; Valve seat ; Process (computing) ; Engineering ; Mechanical engineering ; Computer science ; Physics ; Optics Metal Alloys Wear and Properties ; Advanced materials and composites ; Powder Metallurgy Techniques and Materials