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In Silico Modeling of Lovastatin Analogues as Inhibitors of HIV-1 Nef Protein

Currently, no method can completely eliminate the human immunodeficiency virus (HIV) in an infected person. HIV employs an accessory protein called Nef that forms a complex with cellular AP-1, preventing detection of HIV-infected cells. Lovastatin has been recently identified to inhibit the formation of said Nef-AP-1 complex, but its effective concentration is remarked to be far higher than other Nef inhibitors. This study aims to develop a modified lovastatin molecule exhibiting higher binding affinity to the HIV-1 Nef protein than lovastatin in silico. Modified lovastatin molecules based on the interaction map of lovastatin with Nef were modeled, and flexible ligand-flexible receptor docking to the Nef binding site was performed using AutoDock Vina. Residues within the Nef binding site identified by Liu et al. (2019) to be crucial (Glu-63, Val-66, Phe-68, Asp-108, Leu-112, Tyr-115) were set as flexible. Fragment-based drug design was utilized to append molecular fragments to lovastatin in order to maximize its interactions with said crucial residues. From the fragment-based approach, molecule F4 ((1S,3S)‐8‐{2‐[(2R,4R)‐4‐chloro‐6‐oxooxan‐2‐yl]ethyl}‐3‐(hydroxymethyl)‐7‐methyl‐1,2,3,4‐tetrahydronaphthalen‐1‐yl 4‐aminobenzoate) exhibited a binding affinity of -9.0 kcal/mole, and its estimated IC50 ranges between 0.25-0.51 μM which is at least 7.5 times lower than the reported IC50 of lovastatin from literature. This study presents insights on the key modifications to improve lovastatin as an HIV-1 Nef inhibitor and pertinent information about the Nef binding site for future drug development studies.

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Susanito, autonomous robot body temperature meter: support to reduce infections in rows

A variant of the coronavirus (2019-nCoV or COVID-19) was reported in Wuhan, China on December 31, 2019, spreading rapidly around the world. Owing to a plan to reactivate the economy, the Mexican government, requested to implement protective measures to enter establishments with confined spaces: wear a mask, provide alcohol-based hand rub and the measurement of body temperature, allowing problem when not have a fever; however, these measures cause long waiting lines, causing contagion risk. To support this problem, applied and experimental research was used, generating as a result, the creation of a robot that moves autonomously thanks to a line follower sensor. Dispenses alcohol-based hand rub and determines the temperature by means of an infrared sensor, checking that the distance is adequate, with an ultrasonic sensor, using a buzzer that emits a sound of half a second when it performs a normal detection, but, if it is equal to or greater os 38 ° C, emits a sound for 10 seconds asking the person to leave the line and go to a medical service, helping to reduce problems infections in lines

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In Silico Modeling of Lovastatin Analogues as Inhibitors of HIV-1 Nef Protein

Currently, no method can completely eliminate the human immunodeficiency virus (HIV) in an infected person. HIV employs an accessory protein called Nef that forms a complex with cellular AP-1, preventing detection of HIV-infected cells. Lovastatin has been recently identified to inhibit the formation of said Nef-AP-1 complex, but its effective concentration is remarked to be far higher than other Nef inhibitors. This study aims to develop a modified lovastatin molecule exhibiting higher binding affinity to the HIV-1 Nef protein than lovastatin in silico. Modified lovastatin molecules based on the interaction map of lovastatin with Nef were modeled, and flexible ligand-flexible receptor docking to the Nef binding site was performed using AutoDock Vina. Residues within the Nef binding site identified by Liu et al. (2019) to be crucial (Glu-63, Val-66, Phe-68, Asp-108, Leu-112, Tyr-115) were set as flexible. Fragment-based drug design was utilized to append molecular fragments to lovastatin in order to maximize its interactions with said crucial residues. From the fragment-based approach, molecule F4 ((1S,3S)‐8‐{2‐[(2R,4R)‐4‐chloro‐6‐oxooxan‐2‐yl]ethyl}‐3‐(hydroxymethyl)‐7‐methyl‐1,2,3,4‐tetrahydronaphthalen‐1‐yl 4‐aminobenzoate) exhibited a binding affinity of -9.0 kcal/mole, and its estimated IC50 ranges between 0.25-0.51 μM which is at least 7.5 times lower than the reported IC50 of lovastatin from literature. This study presents insights on the key modifications to improve lovastatin as an HIV-1 Nef inhibitor and pertinent information about the Nef binding site for future drug development studies.

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The Reproduction success of the Cyprinidae and a Claridae fish species and its impact on small- scale fisheries

To investigate the reproduction success and natural recruitment of several Cyprinidae fish and Claridae fish species in the Allemanskraal Dam. The purpose of the project included investigating whether each individual fish species studied has a successful 2020/2021 spawning season in comparison with each other. Sections of the seine net were measured along with a distance of 10 along the shoreline. The ends of the seine nets were attached to one foot and the top of the net was held by hand. Both volunteers moved in unison while covering the 10m. The volunteer in the “deep end” moved towards the shoreline creating a semi-circle while the other volunteer remained stationary. The two ends of the net were then pulled onto the shore and the fish were collected. The results found that the Labeo Umbratus and Cyprinus carpio had the most successful spawning seasons with the highest recorded numbers. These high numbers of the Labeo Umbratus can be due to the fact that the species lays a large number of eggs. The high numbers of the Cyprinus carpio is due to the lower numbers of the other fish species as previous studies have shown that the species negatively impacts the environment which could in turn negatively impact the other fish species. The Claridae gariepinus and Labeobarbus aeneusas were the lowest. The low numbers of the Labeobarbus aneusas may be due to their slow growth and late maturity rate. The Labeo capensis had an average number relative to the other species and this is due to the fact that during the sampling period the dam was at 100% capacity as this is essential for the survival of the juvenile fish. The hypothesis was accepted as the Labeo Umbratus, Cyprinus carpio and Labeo capensis all have a successful spawning season. However, due to the size of the Cyprinus carpio, they would be most suited for a small scale fishery.

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急酷降溫:開發水冷式CPU散熱模組之研究

目前水冷散熱系統普遍應用在電腦CPU降溫中,雖然水的「比熱容」比空氣及大部分介質都高,但因水冷散熱系統內冷卻液的熱量,最終仍靠風扇送到機殼外,故CPU之最低溫度仍存在一個臨界值。本研究旨在對於「一體式」與「分離式」電腦水冷散熱系統及「熱電致(製)冷晶片」(Thermoelectric Cooling Module)結合進行模組開發設計,將此兩類相關元件搭配結合,以突破傳統水冷式散熱所無法降達的溫度。本研究將「致(製)冷晶片」之致冷端及水冷系統作結合,利用致冷端作為吸收CPU主要熱量,結果發現:與單純只利用風扇將熱量帶走的方式相比,本研究所開發之『第一代』一體式散熱模組與『第二代』分離式散熱模組皆成功地將頂級CPU之工作溫度再壓低,使電腦工作效率維持在最佳範圍。

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兩組直線所構造的三角形外心軌跡性質

本研究源於 2022 年數學雜誌《Crux Mathematicorum》的一道四邊形動態幾何問題,我們先將此問題設定為三角形,利用綜合幾何方法給出了兩種構圖條件下的三角形外心軌跡皆為圓弧,並且發現兩種圓弧的變換關係,也給出豐富有趣的性質。值得一提的是,分別對三角形的三個頂點輪換進行第一種構圖得出三個圓弧,這些圓弧恰可組合成三角形的九點圓,這是有趣的發現!回到原始問題的四邊形,我們構造了兩個三角形,透過巧妙轉換頂角與直徑圓變換而給出外心軌跡所在圓弧的兩個定點而解決此問題。最後推廣至鄰邊連線時,我們用雙射對應觀點簡潔刻劃了軌跡圓弧。重要的是,本研究處理四邊形的手法與三角形的是一致的,意味著證明手法具有推廣性。

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「氫」雲直上-影響氫氣火箭飛行的各項因子探討-Discuss the Factors Affecting the Flight of the Hydrogen Rockets

本實驗主要在研究各項因子對氫氣火箭的影響,我們查了許多影片和資料,發現許多氫氣火箭實驗都沒有記錄各項因子的數據及比較,在歷屆科展的火箭實驗中,將氫氣作為燃料的作品也寥寥無幾,所以決定嘗試這個題目作為本實驗的研究主題。 我們的研究使用電解製造氫氣與氧氣,進行燃料、造型實驗,並用電腦計算出飛行高度,希望能找出最佳飛行高度因子。我們發現各種因子的飛升高度與質量、質心、燃料與造型有很大的關聯。 希望能藉由這些實驗讓人們更認識氫氣火箭,也能藉由氫氣火箭的飛行實驗讓大家更認識、更熟悉火箭之中的科學原理,讓大家對科學更有興趣。

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Air quality monitoring project as an educational tool for sustainable development

The research project has an extremely relevant topic - the creation of an air quality monitoring system for general secondary education. In the context of the Covid 19 pandemic, proper air sanitation is a determining factor in counteracting the spread of coronavirus infection. Special requirements for the procedure of systematic ventilation of educational premises are set before teachers and technical staff of schools "Sanitary Regulations for General Secondary Education Institutions", which is mandatory for implementation in general secondary education institutions. Together with measures to counter the Covid 19 pandemic, the new health regulations somewhat neglect resource conservation and energy efficiency issues: ventilation during the heating season can lead to wasteful heat losses. Monitoring the quality of air purification is simply necessary if teachers and parents care about creating a safe educational environment for students at school. Requirements for air safety determine and regulate its characteristics such as temperature, humidity, the presence of dust particles of different sizes, the concentration of carbon dioxide (CO2), carbon monoxide (CO) and formaldehyde vapors. The level of hazardous substances such as formaldehyde, which can be released from building materials, carbon monoxide and carbon dioxide, should be closely monitored in accordance with the recommendations of sanitary regulations and hygiene requirements of health care facilities. With increased concentrations of carbon dioxide above normal, the human body will experience the negative effects of hypoxia: poor health, drowsiness, decreased cognitive processes, learning becomes less effective. Carbon monoxide is a poisonous substance that can damage the body, poison hemoglobin and cause constant hypoxia of all organs and systems, long stay indoors with it leads to death. Formaldehyde causes carcinogenic effects, and the excess concentration of dust particles worsens the condition of people with allergies and bronchial asthma, as well as dust promotes bacterial growth and the spread of viral particles, which is especially dangerous in a coronavirus pandemic. Our solution allows for a transparent permanent monitor of air quality in the school, makes this monitoring completely inclusive - because any user from among the participants in the educational process has access to up-to-date information about the air in the school and can make informed decisions about proper behavior Our system allows students to become more responsible, independent in terms of sanitary requirements and compliance. Therefore, the main idea of our project is extremely relevant today - to organize a digitalized system for monitoring the quality of air purification in the school, thus preventing inadequate ventilation with wasteful heat loss and reduced energy efficiency of the school building. The project has signs of sustainability - it is in line with the Sustainable Development Goals – 3 «Good health and well-being», 4 «Quality education», 5 «Gender equality», 11 «Sustainable cities and communities», 12 «Responsible consumption and production» and 13 «Climate action»

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Two Klatovy copies of Šimon Brixi's Domine ad Ad juvandum me festina and his time

The main goal of this paper was a creation of musical score for the composition from the 18th century Domine ad Ad juvandum in A minor and C major composed by Šimon Brixi. Another goal was finding as much information as possible related to this composition and summarize everything possible that was written previously. Separate parts were transcribed into one partiture. Nevertheless there were difficulties like mistakes in sheet music (corrected according to harmony of other voices), missing beats (replaced by identical parts of score), differences in period station. Hard times also bring on differences of period notation. The resulting musical scores can be directly used for music production, which is schemed for the next year. The second part was researching new or never-published information related to these compositions. Here I describe Š. Brixi´s life. I managed to read out the cause of Šimon Brixi death in a chronicle, which was not in the publication I found. Brixi died of tuberculosis like his son. Transcriptors, J.V.Flaška and J.J.Hoffman, are also mentioned. Lastly the information about sheet music itself and its historical context were described. Another discovery was an identification of watermark on sheet music paper. Assuming the sheet music is truly transcribed in 1742 the Kolinec paper mill watermark on the sheet music paper is the oldest evidence of its use. In this paper I summarized the historical context of the baroque era including social life, art and culture.I mentioned the most important events that were crucial for historical development in Bohemia and especially in the Klatovy region. This context can be useful for today’s musicians who want to understand the historical background and express the composition with full respect to the time of its creation.

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The effects of Different Synthesis Methods and Catalysts on Crude Aspirin

Aspirin is one of the most used and well-known medicines world-wide. It can be synthesized by reacting acetic anhydride and salicylic acid in a warm temperature of around 60-80°C. This reaction is usually catalyzed by sulfuric or phosphoric acid. This paper will investigate alternative catalysts, safer and more environmentally friendly, as well as compare different synthesis methods with different heat mediums, one using a water bath and the other amicrowave. By doing so, the effects of the catalyst and the method of synthesis on the yield, purity and environmental consequence of crude aspirin synthesis will be deduced. The targeted utcome is to find the alternative method as more energy efficient, and to find a greener safer catalyst to sulfuric and phosphoric acid. Further background information, exploration, and explanation is in the appendix. The targeted outcome will be to find a viable alternative catalyst that is safer and more environmentally friendly, and to find that the microwave synthesis method consumes less energy.

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利用 CRISPR/Cas 技術重建複雜的DNA 修復機制

本研究利用合成生物學技術開發的創新基因組篩檢平台PRISM(v2.0),採用合成轉錄因子(crispr-TF)辨認DNA但不進行剪切,透過修改CRISPR/Cas的PAM-interacting (PI) domain序列打破其辨認限制,由原本NGG序列變成可以結合NAG的序列,提升crispr-TF在高通量基因組的篩選能力,期待未來可以做出辨認NNN序列,以此技術初步成功建構Chk2/Rad53所參與的基因網絡,讓失去Chk2/Rad53功能的酵母菌能在DNA損傷的情況生存。Chk2/Rad53蛋白磷酸酶在DNA修復的訊息傳遞中調控龐大的基因網絡,其中潛在大量不同調控路徑聯結的組合性,過去的研究都無法有效地分析且重建完整的DNA修復機制。未來將進一步探討Chk2/Rad53調控的下游基因組,並以此新技術和研究應用於複雜腫瘤與老化疾病的預防及治療。

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Bio-Circular-Green Superabsorber

As the world has become concerned about the global waste crisis and global warming, there has been a surge of research within materials science to find materials that would replace plastic, such as bioplastics or biodegradable materials, in order to reduce environmental pollution. Plastics generates the microplastics that allowed them to become cross contamination enter the ocean through land, sea and river. Science research found (Lusher et al. (2017)) over 220 species of marine animals ingested microplastic, half of them are considered relevant for commercial purpose and increasing the risk of human consumption as it can induce immune response, oxidative stress, cytotoxicity, alter membrane integrity and cause differential expression of genes. Thailand is also experiencing such a challenge, as seen by the overabundance of plastic waste that might take centuries to decompose. For example, around 1680 million personal hygiene products such as diapers, sanitary napkins, and tampons are used each year. This study highlights the use of naturally accessible absorbent fibers from malva nut (Scaphium scaphigerum) (G. Don) Guib & Planch.), which is widely available and biodegradable in nature and has a low carbon footprint. This study also aimed to develop natural absorbent pads using compostable spun, external layers, and biodegradable glue. A prototype sanitary napkin with biodegradable absorbent pads was developed and evaluated for absorption ability, absorption rate, pH, and biodegradability. The absorbent material absorbed up to 19 times its weight in 2 minutes and 33 times its weight in 2 hours, which is enough for an average of 80-150 mL of menstrual blood. The prototype napkin deteriorated within 99 days, based on naked eye observation. Some signs of degradation and microorganisms growing on the prototype were also observed from scanning electron microscopic images. According to the findings, natural absorbent pads made from malva nut have the potential to be converted into sanitary napkins. Furthermore, it is proposed that the components, which include superabsorbent renewable materials, spinning compostable layer, external compostable layer and biodegradable glue, may be used in a variety of goods, including adult diaper pants, incontinence pads, and laboratory bench mats.

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