• Title/Summary/Keyword: Molecular design

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Three Cyanide-Bridged One-Dimensional Single Chain CoIII-MnII Complexes: Rational Design, Synthesis, Crystal Structures and Magnetic Properties

  • Zhang, Daopeng;Zhao, Zengdian;Wang, Ping;Chen, Xia
    • Bulletin of the Korean Chemical Society
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    • v.33 no.5
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    • pp.1581-1585
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    • 2012
  • Two pyridinecarboxamide dicyanidecobalt(III) building blocks and two mononuclear seven-coordinated macrocycle manganese(II) compounds have been rationally selected to assemble cyanide-bridged heterobimetallic complexes, resulting in three cyanide-bridged $Co^{III}-Mn^{II}$ complexes. Single X-ray diffraction analysis show that these complexes $\{[Mn(L^1)][Co(bpb)]\}ClO_4{\cdot}CH_3OH{\cdot}0.5H_2O$ ($\mathbf{1}$), $\{[Mn(L^2)][Co(bpb)]\}ClO_4{\cdot}0.5CH_3OH$ ($\mathbf{2}$) and ${[Mn(L^1)][Co(bpb)]\}ClO_4{\cdot}H_2O$ ($\mathbf{3}$) ($L^1$ = 3,6-diazaoctane-1,8-diamine, $L^2$ = 3,6-dioxaoctano-1,8-diamine; $bpb2^{2-}$ = 1,2-bis(pyridine-2-carboxamido)benzenate, $bpmb2^{2-}$ = 1,2-bis(pyridine-2-carboxamido)-4-methyl-benzenate) all present predictable one-dimensional single chain structures. The molecular structures of these one-dimensional complexes consists of alternating units of $[Mn(L)]^{2+}$ ($L=L^1$ or $L^2$) and $[Co(L^{\prime})(CN)2]^-$ ($L^{\prime}=bpb2^{2-}$, or $bpmb2^{2-}$), forming a cyanide-bridged cationic polymeric chain with free $ClO_4{^-}$ as the balance anion. The coordination geometry of manganese(II) ion in the three one-dimensional complexes is a slightly distorted pentagonal-bipyrimidal with two cyanide nitrogen atoms at the trans positions and $N_5$ or $N_3O_2$ coordinating mode at the equatorial plane from ligand $L^1$ or $L^2$. Investigation over magnetic properties of these complexes reveals that the very weak magnetic coupling between neighboring Mn(II) ions connected by the diamagnetic dicyanidecobalt(III) building block. A best-fit to the magnetic susceptibility of complex ${\mathbf}{1}$ leads to the magnetic coupling constants $J=-0.084(3)cm^{-1}$.

Interleukin 10 rs1800872 T>G Polymorphism was Associated with an Increased Risk of Esophageal Cancer in a Chinese Population

  • Sun, Jia-Ming;Li, Qiong;Gu, Hai-Yong;Chen, Yi-Jang;Wei, Ji-Shu;Zhu, Quan;Chen, Liang
    • Asian Pacific Journal of Cancer Prevention
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    • v.14 no.6
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    • pp.3443-3447
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    • 2013
  • Aim: Esophageal cancer is the eighth most common cancer and sixth leading cause of cancer associated death worldwide. The 5 year survival rate for esophageal cancer patients is very poor and accounts for only 12.3%. Besides environmental risk factors, genetic factors might play an important role in the esophageal cancer carcinogenesis. Methods: We conducted a hospital based case-control study to evaluate the genetic effects of functional single nucleotide polymorphisms (SNPs): interleukin 9 (IL9) rs31563 C>T, IL9 rs31564 G>T, IL10 rs1800872 T>G, IL12A rs2243115 T>G, IL12B rs3212227 T>G and IL13 rs1800925 C>T on the development of esophageal cancer. A total of 380 esophageal squamous cell carcinoma (ESCC) cases and 380 controls were recruited for this study. The genotypes were determined using a custom-by-design 48-Plex SNPscan$^{TM}$ Kit. Results: The IL10 rs1800872 T>G polymorphism was associated with an increased risk of ESCC. However, there were no significant links with the other five SNPs. Stratified analyses indicated no significant risk of ESCC associated with the IL10 rs1800872 T>G polymorphism evident among any subgroups. Conclusion: These findings indicated that functional polymorphism IL10 rs1800872 T>G might contribute to ESCC susceptibility. However, our results were obtained with a limited sample size, so that the power of our analysis was low. Future larger studies with more rigorous study designs of other ethnic populations are required to confirm the current findings.

Development of Additive to Modify the SDAR (Solvent DeAsphalting Residue) and Laboratory Performance Evaluation of Asphalt Mixture with Modified SDAR (고품위화 정제공정 부산물(SDAR) 활용을 위한 첨가제 개발 및 이를 이용한 아스팔트 혼합물의 실내 공용성능 평가)

  • Baek, Cheolmin;Yang, Sung Lin;Hwang, Sung Do
    • International Journal of Highway Engineering
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    • v.18 no.6
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    • pp.97-104
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    • 2016
  • OBJECTIVES : The objective of this research is to develop additives for the modification of Solvent DeAsphalting Residue (SDAR) to be used as pavement materials, and evaluate the performance of asphalt mixture manufactured using the SDAR modified by developed additives. METHODS : The SDAR generally consists of more asphaltenes and less oil components compared to the conventional asphalt binder, and hence, the chemical/physical properties of SDAR are different from that of conventional asphalt binder. In this research, the additives are developed using the low molecular oil-based plasticizer to improve the properties of SDAR. First, the chemical property of two SDARs is analyzed using SARA (saturate, aromatic, resin, and asphaltene) method. The physical/rheological properties of SDARs and SDARs containing additives are also evaluated based on PG-grade method and dynamic shear-modulus master curve. Second, various laboratory tests are conducted for the asphalt mixture manufactured using the SDAR modified with additives. The laboratory tests conducted in this study include the mix design, compactibility analysis, indirect tensile test for moisture susceptibility, dynamic modulus test for rheological property, wheel-tracking test for rutting performance, and direct tension fatigue test for cracking performance. RESULTS : The PG-grade of SDARs is higher than PG 76 in high temperature grades and immeasurable in low temperature grades. The dynamic shear modulus of SDARs is much higher than that of conventional asphalt, but the modified SDARs with additives show similar modulus compared to that of conventional asphalt. The moisture susceptibility of asphalt mixture with modified SDARs is good if, the anti-stripping agent is included. The performance (dynamic modulus, rutting resistance, and fatigue resistance) of asphalt mixture with modified SDARs is comparable to that of conventional asphalt mixture when appropriate amount of additives is added. CONCLUSIONS : The saturate component of SDARs is much less than that of conventional asphalt, and hence, it is too hard and brittle to be used as pavement materials. However, the modified SDARs with developed additives show comparable or better rheological/physical properties compared to that of conventional asphalt depending on the type of SDAR and the amount of additives used.

QSAR on the Inhibition Acticity of Flavopiridol Analogues against Breast Cancer MCF-7 (Flavopiridol 유도체에 의한 유방암 MCF-7 세포의 저해 활성에 관한 구조와 활성과의 관계)

  • Soung, Min-Gyu;Joo, Sung-Mo;Song, Ah-Reum;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.50 no.3
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    • pp.147-153
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    • 2007
  • To search for a molecular design of a new breast cancerous inhibitory active compound, 2D-QSAR and HQSAR between the substituents of flavopiridol analogues as substrates and their breast cancerous inhibitory activities against MCF-7 cell were analyzed and discussed quantitatively. It was found that the dispersion with molecule and steric hindrance with substituents will have a tremendous impact on the inhibitory activities from the 2D-QSAR model (1). Also, MR constant is better than that of MS constant as animportant factor. The inhibitory activities from 2D-QSAR model (2) were dependent upon the optimum MR constant (MR = 126 $Cm^3/mol$). Optimized HQSAR model (V) exhibited the best predictability of the inhibitory activities based on the cross-validated $r^2_{cv}$($q^2$= 0.583) and non-cross-validated conventional coefficient ($r^2_{ncv}$= 0.982). From the contribution maps, the inhibitory activity by the imino group on $C_9$ atom was higher than that of the hydroxyl group of $C_8$ atom on the A ring in molecule. Therefore, we can confirm that the dispersion by substituents in molecule is the most important factor in inhibitory activities against MCF-7 cell.

Rapid Detection of the pathogenic agent of Bacterial white enteritis of Larval and Juvenile Stages in Olive flounder (Paralichthys olivaceus) (넙치(Paralichthys olivaceus)자치어 장관백탁증(Bacterial white enteritis) 원인균의 신속 검출)

  • Mun, Yeong-Geon;Park, Geun-Tae;Son, Hong-Ju;Lee, Sang-Hyeon;Lee, Jeong-Min;Heo, Mun-Su
    • Journal of fish pathology
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    • v.17 no.3
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    • pp.159-169
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    • 2004
  • Bacterial wihte enteritis ocurred by infection of V. ichthyoenteri is a devastating disease in olive flounder (Paralichthys olivaceus) hatcheries in Korea. Since white enteritis has been a problem in aquqtic industries, necessity of a rapid detection method is increased. In an attempt to develop rapid PCR method the detection of V. ichthyoenteri, we examined the 16S-23S rRNA intergenic spacer region(ISR) of V. ichthyoenteri and developed species-specific primer for V. ichthyoenteri. The intergenic spacers were amplified by primers complementary to conserved region of 16S and 23S rRNA genes. The intergenic spacer region between the 16S and 23S rRNA genes of V. ichthoenteri were investigated by PCR fragment length typing and DNA sequencing. Analysis of the ISR sequences showed that V. ichthyoenteri contains one types of polymorphic ISRs. The size of ISRs ranged 348bp length and not contains tRNA genes. Mutiple alignment of representative sequences from different Vibrio species revealed several domains of high sequence variability, and allowed to design species-specific primer for detection of Vibrio ichthyoenteri. PCR. The specific of the primer was examined using genomic DNA prepared from 19 different Vibrio species, isolated 18group Vibrio species. The results showed that the PCR reaction using species-specific primer designed in this study can be used to detect V. ichthyoenteri.

The Design of Reconstruction Filter for the Order Tracking of the Rotating Machinery (회전기기 진동의 Order Tracking을 위한 재합성 필터의 설계)

  • 정승호;박영필;이상조
    • Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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    • 1991.04a
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    • pp.95-98
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    • 1991
  • 회전 기기의 이상으로 인하여 발생하는 진동은 축 회전속도의 고주파 성분 (super-harmonic)이나 또는 분수조파 성분(sub-harmonic)으로 나타나는 경 우가 대부분이기 때문에 회전기기의 진동을 주파수 영역에서 해석함에 있어 파워 스펙트럼의 주파수 축을 Hz로 나타내기보다는 축 회전속도의 order로 써 나타내는 것이 매우 유용하다. 스펙트럼을 order로써 나타내기 위해서는 샘플링 시간을 축 회전속도와 동기(synchronization)시켜야 하는데 이 방법으 로는 회전축에 엔코더(encorder)를 부착하여 엔코더에서 발생하는 펄스 신호 를 이용하여 샘플링하는 방법과 order tracking 필터를 이용하는 방법이 있 다. 그러나 전자의 방법은 원하는 회전축마다 엔코더를 부착하여야 하며 경 우에 따라서는 엔코더를 부착하기가 어려운 경우도 있으며, 회전기기의 운전 개시나 종료시처럼 회전속도가 급격히 변화하는 경우에는 낮은 주파수에서 중첩(aliasig)에 의한 오차가 수반될 수도 있다. 후자의 방법은 order tracking 필터 이외에도 여러 부수장비가 필요하며 기준 주파수(즉 회전속 도)가 급격히 변화하는 경우 PLL(phase locked loop)에서 tracking 오차가 발생된다. 최근에 발표된 논문에서 일정한 시간간격으로 샘플링한 데이터들 로부터 신호를 재합성하여 회전축의 속도와 동기가 되도록 재 샘플링함으로 서 스펙트럼의 주파수를 회전속도의 order로써 나타내는 방법을 제시하였다. 그러나 위 논문에서는 신호의 재합성에 필요한 재합성 필터(reconstruction filter)의 설계 방법에 대하여 구체적인 언급이 없이 다만 결과만을 논하였다. 따라서 본 논문에서는 재합성 필터의 설계 방법에 대하여 구체적인 방법을 제시하고 또한 동기화 샘플링의 장점 및 고려 사항에 대하여 고찰하였다. 고려한 능동 소음제어 에 대해 연구하였다. 경량화 추세에 따라 지반이나 케이싱이 경량이거나 유연하여 회전축과 동적으로 연성된 경우 회전축-베어링-지반으로 이루어진 2중구조의 회전축 계 동특성을 해석할 수 있는 프로그램을 개발하므로서 회전 기계류의 진동 전반에 걸친 문제점에 대한 그 원인과 현상을 명확히 분석하여 국내의 전기 계류의 보다 신뢰성있는 설계 및 제작자료를 확보하는데 기여할 수 있게 하 였다.존의 small molecular Gd-chelate에 비해 매우 큼을 알 수 있었다. MnPC는 간세포에 흡수된 후 담도계로 배출되는 간특이성 조영제임을 확인하였다. 장비 내에서 반복 시행한 평균값의 차이는 대체적으로 유의한 차이가 없었으나, 다른 장비에서 반복 시행한 장비간의 사이에는 유의한 차이가 있는 경우가 더 많았다. 따라서 , MRS 검사를 소뇌나 뇌교의 어떤 절환에 적용하기 전에 각 장비 마다 정상 기준치를 반드시 얻은 후에 이상여부를 판 정하는 것이 필수적이라고 생각된다.EX> 이상이 적절한 진단기준으로 생각되었다. $0.4{\;}\textrm{cm}^3$ 이상의 좌우 부피차를 보이는 모든 증례에서 육안적으로도 해마위축이 뚜렷이 나타났다. 결론 : MR영상을 이용한 해마의 부피측정은 해마경화증 환자의 진단에 있어 육안적인 MR 진단이 어려운 제한된 경우에만 실제적 도움을 줄 수 있는 보조적인 방법으로 생각된다.ofile whereas relaxivity at high field is not affected by τS. On the other hand, the change in τV does not affect low field profile but strongly in fluences on both inflection fie이 and the maximum relaxivity value. The re

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Luminescent Lanthanide Complexes for Advanced Photonics Applications

  • Eom, Yu Kyung;Ryu, Jung Ho;Kim, Hwan Kyu
    • Rapid Communication in Photoscience
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    • v.1 no.1
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    • pp.1-9
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    • 2012
  • Luminescent lanthanide complexes have been overviewed for advanced photonics applications. Lanthanide(III) ions ($Ln^{3+}$) were encapsulated by the luminescent ligands such as metalloporphyrins, naphthalenes, anthracene, push-pull diketone derivatives and boron dipyrromethene(bodipy). The energy levels of the luminescent ligands were tailored to maintain the effective energy transfer process from luminescent ligands to $Ln^{3+}$ ions for getting a higher optical amplification gain. Also, key parameters for emission enhancement and efficient energy transfer pathways for the sensitization of $Ln^{3+}$ ions by luminescent ligands were investigated. Furthermore, to enhance the optophysical properties of novel luminescent $Ln^{3+}$ complexes, aryl ether-functionalized dendrons as photon antennas have been incorporated into luminescent $Ln^{3+}$ complexes, yielding novel $Ln^{3+}$-cored dendrimer complex such as metalloporphyrins, naphthalenes, and anthracenes bearing the Fr$\acute{e}$chet aryl-ether dendrons, namely, ($Er^{3+}-[Gn-Pt-Por]_3$ (terpy), $Er^{3+}-[Gn-Naph]_3$(terpy) and $Er^{3+}-[Gn-An]_3$(terpy)). These complexs showed much stronger near-IR emission bands at 1530 nm, originated from the 4f-4f electronic transition of the first excited state ($^4I_{13/2}$) to the ground state ($^4I_{15/2}$) of the partially filled 4f shell. A significant decrease in the fluorescence of metalloporphyrins, naphthalenes and anthracene ligand were accompanied by a strong increase in the near IR emission of the $Ln^{3+}$ ions. The near IR emission intensities of $Ln^{3+}$ ions in the lanthanide(III)-encapsulated dendrimer complexes were dramatically enhanced with increasing the generation number (n) of dendrons, due to the site-isolation and the light-harvesting(LH) effects. Furthermore, it was first attempted to distinguish between the site-isolation and the light-harvesting effects in the present complexes. In this review, synthesis and photophysical studies of inert and stable luminescent $Ln^{3+}$ complexes will be dealt for the advanced photonics applications. Also, the review will include the exploratory investigation of the key parameters for emission enhancement and the effective energy transfer pathways from luminescent ligands to $Ln^{3+}$ ions with $Ln^{3+}$-chelated prototype complexes.

The Nutritive Values and Manufacture of Total Mixed Fermentation Feeds using Green Forage Crops and RiCE-straw (청예 사료작물과 볏짚을 이용한 완전배합발효사료의 제조와 영양적가치)

  • Lee, H.J.;Cho, K.K.;Kim, W.H.;Kim, Hyeon-Seop;Kim, J.S.;Hang, S.H.;Woo, J.H.;Lee, H.G.;Choi, Y.J.
    • Journal of Animal Science and Technology
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    • v.44 no.1
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    • pp.75-86
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    • 2002
  • Adequate forage amounts in ruminant animal are necessary for proper ruminal function in dairy cow. This study was carried out to determine the effect of total mixed fermentation feeds made by different green forage crops and grain processings on chemical compositions, RFV (relative feed value) and ruminal characteristics in sheep. The experiment was arranged in a split plot design with 4 replications. The main plot consisted of 6 kinds of green forages (corn, grass, rye, rape, alfalfa and oat) and the sub plots three different grain processings such as non-milling, half milling (7mm mesh over), and regular milling (7mm mesh below). And the different TMFFs (total mixed fermentation feeds) were analyzed for chemical composition and fed to 8 ruminally fistulated sheep for ruminal charactics and palatability. RFV, daily feed intake, acetate/propionate ratio of the rape-TMFFs were higher compared with the other treatment. Ruminal content of VFA (volatile fatty acid) of corn-TMFF was highest as 90.19 mmol% and pH of the feed was lowest as 3.82. But, acetic acid, propionic acid and butyric acid were no difference among treatments. In conclusion, the effect of grain proceeding was not appeared but if consider of only RFV, palatability and dry matter disappearance, grade of TMFF was improved in order of rape-, corn-, alfalfa-, grass-, oat- and rye-TMFF.

Effects of Castration on Androgen Receptor, IGF-I Ea, MGF and Myostatin Gene Expression in Skeletal Muscles of Male Pigs

  • Yao, Yuchang;Cai, Zhaowei;Zhang, Lifan;Zhao, Chunjiang;Wu, Keliang;Xu, Ningying;Liu, Gang;Wu, Changxin
    • Asian-Australasian Journal of Animal Sciences
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    • v.22 no.8
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    • pp.1069-1077
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    • 2009
  • Castration of male pig produces significant negative effects on skeletal muscle development. The androgen receptor (AR), two splice variants of insulin-like growth factor-I (IGF-I Ea and MGF) and the myostatin gene may play important roles in this process. In the present study, the expression of AR, IGF-I Ea, MGF and myostatin genes in three skeletal muscles, the brachialis, longissimus and semitendinosus, were studied using real-time quantitative RT-PCR. Our experimental design used 14 pairs of male Landrace sire${\times}$Yorkshire dam piglets. The two piglets in each pair were full sibs, one of which was castrated at 21 d of age; the other remained intact. The study group was divided into subgroups of equal size. Animals in the first subgroup were slaughtered at 147 d and those of the second at 210 d of age. Carcass weight and lean meat yield were similar between boars and barrows at 147 d of age (p>0.05), whereas barrows had lower carcass weight and less lean meat yield at 210 d of age (p<0.05). Castration caused down-regulation of AR gene expression at both 147 and 210 d of age (p<0.05). The two splice variants of the IGF-I gene from porcine skeletal muscle were cloned using RT-PCR, and it was found that MGF differs from IGF-I Ea in having a 52-base insert in the last coding exon of the mRNA. Both splice variants were down-regulated by castration only at 210 d of age (p<0.05). No differences in expression of the myostatin gene were observed between boars and barrows at either 147 or 210 d of age (p>0.05). These results suggest that the downregulation of AR, IGF-I Ea and MGF gene expression following castration helps to explain the negative effect of castration on skeletal muscle development.

Burkholderia tropica as a Potential Microalgal Growth-Promoting Bacterium in the Biosorption of Mercury from Aqueous Solutions

  • Zarate, Ana;Florez, July;Angulo, Edgardo;Varela-Prieto, Lourdes;Infante, Cherlys;Barrios, Fredy;Barraza, Beatriz;Gallardo, D.I;Valdes, Jorge
    • Journal of Microbiology and Biotechnology
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    • v.27 no.6
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    • pp.1138-1149
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    • 2017
  • The use of microalgal biomass is an interesting technology for the removal of heavy metals from aqueous solutions owing to its high metal-binding capacity, but the interactions with bacteria as a strategy for the removal of toxic metals have been poorly studied. The goal of the current research was to investigate the potential of Burkholderia tropica co-immobilized with Chlorella sp. in polyurethane discs for the biosorption of Hg(II) from aqueous solutions and to evaluate the influence of different Hg(II) concentrations (0.041, 1.0, and 10 mg/l) and their exposure to different contact times corresponding to intervals of 1, 2, 4, 8, 16, and 32 h. As expected, microalgal bacterial biomass adhered and grew to form a biofilm on the support. The biosorption data followed pseudo-second-order kinetics, and the adsorption equilibrium was well described by either Langmuir or Freundlich adsorption isotherm, reaching equilibrium from 1 h. In both bacterial and microalgal immobilization systems in the co-immobilization of Chlorella sp. and B. tropica to different concentrations of Hg(II), the kinetics of biosorption of Hg(II) was significantly higher before 60 min of contact time. The highest percentage of biosorption of Hg(II) achieved in the co-immobilization system was 95% at pH 6.4, at 3.6 g of biosorbent, $30{\pm}1^{\circ}C$, and a mercury concentration of 1 mg/l before 60 min of contact time. This study showed that co-immobilization with B. tropica has synergistic effects on biosorption of Hg(II) ions and merits consideration in the design of future strategies for the removal of toxic metals.